Geometry & MOs

Info

ID:

220007

PubChem CID:

85165137

Reduced:

SN6O7C30H42 (1)

Stoich.:

AB6C7D30E42 (1)

Weight, g/mol:

630.374281

ΔHf, kcal/mol:

-277.09

Dipole, Da:

6.72

IP(EA), eV:

 -8.39(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-(benzenesulfonyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate

Drug info:

PubChemData

Smile

CSCCC(C(=O)NCCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)N)N

DOS

IR

Vibrations