Geometry & MOs

Info

ID:

142164

PubChem CID:

52994308

Reduced:

ClON5H14C15 (1)

Stoich.:

ABC5D14E15 (1)

Weight, g/mol:

468.335193

ΔHf, kcal/mol:

0.16

Dipole, Da:

8.45

IP(EA), eV:

 -8.89(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-pyridin-2-ylpentanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NC(=N2)NC3=CC=C(C=C3)C(=O)N)N.Cl

DOS

IR

Vibrations