Geometry & MOs

Info

ID:

191339

PubChem CID:

78133842

Reduced:

ClN8O14C43H63 (1)

Stoich.:

AB8C14D43E63 (1)

Weight, g/mol:

792.520801

ΔHf, kcal/mol:

-496.77

Dipole, Da:

10.77

IP(EA), eV:

 -8.51(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[3a-[2-[(4-chlorophenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1CC(=C(N2C1C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCO)O)O)O)C(=O)O)Cl

DOS

IR

Vibrations