Geometry & MOs

Info

ID:

111197

PubChem CID:

50356726

Reduced:

O5N6C37H44 (1)

Stoich.:

A5B6C37D44 (1)

Weight, g/mol:

694.384269

ΔHf, kcal/mol:

-174.7

Dipole, Da:

5.5

IP(EA), eV:

 -8.77(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-methyl-6-[(2-methylphenyl)carbamoyl]phenyl]-1-[1-[1-[2-methyl-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=CC=C3)NC(=O)C4=CC=CC=C4)C(=O)N5CCCCC5

DOS

IR

Vibrations