Geometry & MOs

Info

ID:	22092
PubChem CID:	595982
Reduced:	O4C12H15 (2)
Stoich.:	A4B12C15 (2)
Weight, g/mol:	446.194068
ΔH_f, kcal/mol:	-331.62
Dipole, Da:	5.12
IP(EA), eV:	-9.86(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(11,17-diformyloxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] formate

Drug info:

PubChemData

Smile

CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COC=O)OC=O)C)OC=O

DOS

IR

Vibrations