Geometry & MOs

Info

ID:	159322
PubChem CID:	57269566
Reduced:	SN2O5C19H22 (1)
Stoich.:	AB2C5D19E22 (1)
Weight, g/mol:	392.09871
ΔH_f, kcal/mol:	-190.17
Dipole, Da:	6.7
IP(EA), eV:	-8.9(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S,13S,14S,17R)-17-(2-bromoacetyl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=CC2=C1C=CC=C2S(=O)(=O)NC3(CCCCC3)OC=O

DOS

IR

Vibrations