Geometry & MOs

Info

ID:

113720

PubChem CID:

50455794

Reduced:

O3N4C32H38 (1)

Stoich.:

A3B4C32D38 (1)

Weight, g/mol:

662.302825

ΔHf, kcal/mol:

-83.34

Dipole, Da:

4.8

IP(EA), eV:

 -8.76(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[4-(dimethylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC=C3C(C)C)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations