Geometry & MOs

Info

ID:

12122

PubChem CID:

130965

Reduced:

NOSC15H23 (2)

Stoich.:

ABCD15E23 (2)

Weight, g/mol:

530.300071

ΔHf, kcal/mol:

-109.45

Dipole, Da:

4.53

IP(EA), eV:

 -8.46(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9S,13S)-3-methoxy-13-methyl-2-[(3,3,10,10-tetramethyl-1,2,5,8-dithiadiazecan-5-yl)methyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3C(C1CCC2=O)CCC4=CC(=C(C=C34)CN5CCNCC(SSC(C5)(C)C)(C)C)OC

DOS

IR

Vibrations