Geometry & MOs

Info

ID:

91750

PubChem CID:

49978611

Reduced:

O5N6C34H46 (1)

Stoich.:

A5B6C34D46 (1)

Weight, g/mol:

688.394833

ΔHf, kcal/mol:

-209.96

Dipole, Da:

6.26

IP(EA), eV:

 -8.95(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-(cyclohexylcarbamoyl)-2-methylanilino]-3-oxopropyl]-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)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)C(=O)N(C)C)C

DOS

IR

Vibrations