Geometry & MOs

Info

ID:

219711

PubChem CID:

85164624

Reduced:

PN10O10C18H25 (1)

Stoich.:

AB10C10D18E25 (1)

Weight, g/mol:

568.521931

ΔHf, kcal/mol:

-363.81

Dipole, Da:

6.45

IP(EA), eV:

 -10.19(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5-methyl-2-propan-2-ylcyclohexyl) 2-propyl-4-(4,5,10,13-tetramethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoate

Drug info:

PubChemData

Smile

C1CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OCC3C(CC(O3)N4CCC(=O)NC4=O)N=[N+]=[N-])N=[N+]=[N-]

DOS

IR

Vibrations