Geometry & MOs

Info

ID:

110988

PubChem CID:

50347660

Reduced:

O5N6C32H44 (1)

Stoich.:

A5B6C32D44 (1)

Weight, g/mol:

634.384269

ΔHf, kcal/mol:

-214.95

Dipole, Da:

8.68

IP(EA), eV:

 -8.97(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-(diethylcarbamoyl)-2-methylanilino]-3-oxopropyl]-1-[1-[2-methyl-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)NC)C)C

DOS

IR

Vibrations