Geometry & MOs

Info

ID:

44255

PubChem CID:

10502240

Reduced:

N2O2S2H20C23 (1)

Stoich.:

A2B2C2D20E23 (1)

Weight, g/mol:

420.233431

ΔHf, kcal/mol:

13.79

Dipole, Da:

8.82

IP(EA), eV:

 -8.51(-1.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-O-methyl 7-O-prop-2-enyl (1R,4aR,7R,8aR,10aS)-1,4a,7-trimethyl-6-methylsulfanyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthrene-1,7-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C=C(C=CN2C3=C(SC(=C13)C#N)SCC4=CC=C(C=C4)C)C

DOS

IR

Vibrations