Geometry & MOs

Info

ID:

111395

PubChem CID:

50365013

Reduced:

O5N6C32H42 (1)

Stoich.:

A5B6C32D42 (1)

Weight, g/mol:

716.426134

ΔHf, kcal/mol:

-202.0

Dipole, Da:

7.61

IP(EA), eV:

 -8.8(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-1-[2-methyl-6-(morpholine-4-carbonyl)anilino]-1-oxobutan-2-yl]-1-[1-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=CC=C3C(=O)N)C(=O)N4CCCC4

DOS

IR

Vibrations