Geometry & MOs

Info

ID:

171348

PubChem CID:

75364758

Reduced:

NO2S2H15C17 (1)

Stoich.:

AB2C2D15E17 (1)

Weight, g/mol:

495.309707

ΔHf, kcal/mol:

37.12

Dipole, Da:

3.16

IP(EA), eV:

 -8.62(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(10R,13S,17S)-17-ethynyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-ylidene]amino]oxy-N-[(3R)-2-oxoazepan-3-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/CS(=O)CC2=CSC(=N2)C3=CC=CO3

DOS

IR

Vibrations