Geometry & MOs

Info

ID:	159873
PubChem CID:	57288842
Reduced:	NSO2C6H14 (2)
Stoich.:	ABC2D6E14 (2)
Weight, g/mol:	330.25588
ΔH_f, kcal/mol:	-213.28
Dipole, Da:	0.87
IP(EA), eV:	-10.72(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(8S,9R,10R,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-2-yl]propanal

Drug info:

PubChemData

Smile

C(CCCCCCS(=O)(=O)N)CCCCCS(=O)(=O)N

DOS

IR

Vibrations