Geometry & MOs

Info

ID:	460
PubChem CID:	2792
Reduced:	ClFO5C26H32 (1)
Stoich.:	ABC5D26E32 (1)
Weight, g/mol:	478.19223
ΔH_f, kcal/mol:	-266.53
Dipole, Da:	9.14
IP(EA), eV:	-9.97(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[17-(2-chloroacetyl)-9-fluoro-10,13,16-trimethyl-3,11-dioxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl] butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OC1(C(CC2C1(CC(=O)C3(C2CCC4=CC(=O)C=CC43C)F)C)C)C(=O)CCl

DOS

IR

Vibrations