Geometry & MOs

Info

ID:	380751
PubChem CID:	134971287
Reduced:	SN2O7C19H30 (1)
Stoich.:	AB2C7D19E30 (1)
Weight, g/mol:	576.387348
ΔH_f, kcal/mol:	-282.66
Dipole, Da:	2.07
IP(EA), eV:	-9.78(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4S,8S,9R,10S)-1,11-bis[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4,7,8-trihydroxy-2,7,10-trimethyl-3,9-di(propan-2-yloxy)undecan-5-one

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]([C@H]([C@@H]1COC(O1)(C)C)OC(=S)N2C=CN=C2)[C@@H]([C@H](C(=O)OC)O)OC(C)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]([C@H]([C@@H]1COC(O1)(C)C)OC(=S)N2C=CN=C2)[C@@H]([C@H](C(=O)OC)O)OC(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):