Geometry & MOs

Info

ID:

97105

PubChem CID:

50028010

Reduced:

O4N5C34H39 (1)

Stoich.:

A4B5C34D39 (1)

Weight, g/mol:

668.232552

ΔHf, kcal/mol:

-123.06

Dipole, Da:

4.69

IP(EA), eV:

 -8.8(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-acetamido-3-chloroanilino)-2-oxoethyl]-1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)C

DOS

IR

Vibrations