Geometry & MOs

Info

ID:	186164
PubChem CID:	77397999
Reduced:	F2O3N4C23H26 (1)
Stoich.:	A2B3C4D23E26 (1)
Weight, g/mol:	488.313789
ΔH_f, kcal/mol:	-140.92
Dipole, Da:	3.01
IP(EA), eV:	-8.99(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(3,7-diacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)NC2=C(C(=NC=N2)OC3CC4CCC3N4C(=O)OC5(CC5)C)F)F

DOS

IR

Vibrations