Geometry & MOs

Info

ID:

110688

PubChem CID:

50336122

Reduced:

O5N6C35H50 (1)

Stoich.:

A5B6C35D50 (1)

Weight, g/mol:

599.310769

ΔHf, kcal/mol:

-236.83

Dipole, Da:

5.01

IP(EA), eV:

 -8.57(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methoxy-4-[(4-methylbenzoyl)amino]phenyl]-1-[2-[2-methyl-3-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NCC(C)C)C(=O)NCC(C)C

DOS

IR

Vibrations