Geometry & MOs

Info

ID:	82665
PubChem CID:	49856302
Reduced:	NO7C19H25 (1)
Stoich.:	AB7C19D25 (1)
Weight, g/mol:	956.445926
ΔH_f, kcal/mol:	-312.93
Dipole, Da:	3.06
IP(EA), eV:	-9.72(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S,4S,6S)-6-[2-[(E)-but-2-en-2-yl]-8-[(2R,4R,5S,6R)-4-(dimethylamino)-6-methyl-5-phenylmethoxyoxan-2-yl]-11-hydroxy-7,12-dimethoxy-5-methyl-4-oxonaphtho[2,3-h]chromen-10-yl]-2,4-dimethyl-4-(phenylmethoxycarbonylamino)oxan-3-yl] acetate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@H]1[C@H]([C@@](C[C@@H](O1)OC(=O)C)(C)NC(=O)OCC2=CC=CC=C2)OC(=O)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@H]1[C@H]([C@@](C[C@@H](O1)OC(=O)C)(C)NC(=O)OCC2=CC=CC=C2)OC(=O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):