Geometry & MOs

Info

ID:

59184

PubChem CID:

24775702

Reduced:

ON2C33H62 (1)

Stoich.:

AB2C33D62 (1)

Weight, g/mol:

530.517515

ΔHf, kcal/mol:

-154.72

Dipole, Da:

5.06

IP(EA), eV:

 -8.68(3.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,5S,7S,8R,9S,10S,13R,14S,17R)-7-(8-aminooctylamino)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-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]2[C@H](C[C@@H]4[C@@]3(CC[C@@H](C4)O)C)NCCCCCCN)C

DOS

IR

Vibrations