Geometry & MOs

Info

ID:

176527

PubChem CID:

76062862

Reduced:

SN5O6C42H51 (1)

Stoich.:

AB5C6D42E51 (1)

Weight, g/mol:

519.280715

ΔHf, kcal/mol:

-195.77

Dipole, Da:

6.57

IP(EA), eV:

 -9.3(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

17-[isocyano-(4-methylphenyl)sulfonylmethylidene]-10,13-dimethyl-3-(2-methylpropoxy)-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(CN2CC(CC2C(=O)NC3CCCC3)S(=O)(=O)C4=CC=CC=C4)O)NC(=O)C5=NC6=CC=CC=C6C=C5

DOS

IR

Vibrations