Geometry & MOs

Info

ID:	337166
PubChem CID:	127256731
Reduced:	O2C15H18 (1)
Stoich.:	A2B15C18 (1)
Weight, g/mol:	357.139865
ΔH_f, kcal/mol:	-24.7
Dipole, Da:	0.86
IP(EA), eV:	-9.48(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(8S,10S,13S,14S)-10,13-dimethyl-3,11,17-trioxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-9-yl] thiocyanate

Drug info:

PubChemData

Smile

COC1(C2CCC(C2)C13CO3)C4=CC=CC=C4

DOS

IR

Vibrations