Geometry & MOs

Info

ID:

188874

PubChem CID:

77778011

Reduced:

N2O11C40H42 (1)

Stoich.:

A2B11C40D42 (1)

Weight, g/mol:

474.382143

ΔHf, kcal/mol:

-359.3

Dipole, Da:

7.9

IP(EA), eV:

 -8.8(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl)-2-methyl-3-[methyl(4-phenylbutyl)amino]propanamide

Drug info:

PubChemData

Smile

CC(C(CC1=CC=C(O1)C(=O)NC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4)N(CCOC5=CC=CC=C5)C(=O)C(=C(CC(=O)O)C(=O)OC(C)(C)C)O

DOS

IR

Vibrations