Geometry & MOs

Info

ID:

113701

PubChem CID:

50455597

Reduced:

O3N4C31H36 (1)

Stoich.:

A3B4C31D36 (1)

Weight, g/mol:

662.302825

ΔHf, kcal/mol:

-86.15

Dipole, Da:

6.95

IP(EA), eV:

 -8.73(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[3-(dimethylcarbamoyl)-2-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations