Geometry & MOs

Info

ID:

179196

PubChem CID:

76450240

Reduced:

BrSO4N9C24H30 (1)

Stoich.:

ABC4D9E24F30 (1)

Weight, g/mol:

462.37091

ΔHf, kcal/mol:

11.74

Dipole, Da:

4.22

IP(EA), eV:

 -8.96(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10,13-dimethyl-17-(4,5,6-trimethylhept-3-en-2-yl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6,11-tetrol

Drug info:

PubChemData

Smile

CNC(=O)C1=C2C=C(C(=CC2=NN1C3=CC=C(C=C3)Br)N(CCNC(=O)CC4NNNN4)S(=O)(=O)C)C5CC5

DOS

IR

Vibrations