Geometry & MOs

Info

ID:

24535

PubChem CID:

610773

Reduced:

O3C43H46 (1)

Stoich.:

A3B43C46 (1)

Weight, g/mol:

610.344695

ΔHf, kcal/mol:

-77.77

Dipole, Da:

2.66

IP(EA), eV:

 -8.63(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(10,13-dimethyl-4-naphthalen-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl) 4-benzoylbenzoate

Drug info:

PubChemData

Smile

CC12CCCC(C1CCC3C2CCC4(C3CCC4OC(=O)C5=CC=C(C=C5)C(=O)C6=CC=CC=C6)C)C7=CC=CC8=CC=CC=C87

DOS

IR

Vibrations