Geometry & MOs

Info

ID:

12226

PubChem CID:

133019

Reduced:

NOC27H47 (1)

Stoich.:

ABC27D47 (1)

Weight, g/mol:

401.365765

ΔHf, kcal/mol:

-122.74

Dipole, Da:

3.55

IP(EA), eV:

 -9.18(1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C=C4[C@@]3(CC[C@@H](C4)O)C)N)C

DOS

IR

Vibrations