Geometry & MOs

Info

ID:	298115
PubChem CID:	117647565
Reduced:	N3O4C26H47 (1)
Stoich.:	A3B4C26D47 (1)
Weight, g/mol:	524.22326
ΔH_f, kcal/mol:	-237.19
Dipole, Da:	3.07
IP(EA), eV:	-9.0(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R,5S,6R)-5-acetyloxy-3-methyl-2-[4-methyl-3-[[4-[(E)-4-oxopent-1-enyl]phenyl]methyl]phenyl]-6-methylsulfanyloxan-4-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

CC(C)[C@@H](/C=C(\C)/C(=O)O)N(C)C(=O)C(C(C)(C)C)NC(=O)[C@H]1CCCCN1C(C)C(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

CC(C)[C@@H](/C=C(\C)/C(=O)O)N(C)C(=O)C(C(C)(C)C)NC(=O)[C@H]1CCCCN1C(C)C(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):