Geometry & MOs

Info

ID:

91634

PubChem CID:

49977768

Reduced:

N5O6C32H43 (1)

Stoich.:

A5B6C32D43 (1)

Weight, g/mol:

662.379183

ΔHf, kcal/mol:

-231.74

Dipole, Da:

11.61

IP(EA), eV:

 -8.9(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NCC4=CC=C(C=C4)OC

DOS

IR

Vibrations