Geometry & MOs

Info

ID:

120613

PubChem CID:

50736969

Reduced:

O5N6C33H44 (1)

Stoich.:

A5B6C33D44 (1)

Weight, g/mol:

702.334125

ΔHf, kcal/mol:

-190.14

Dipole, Da:

5.64

IP(EA), eV:

 -8.9(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-3-oxopropyl]-1-[2-[2-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N(C)C)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC=C4C(=O)N(C)C

DOS

IR

Vibrations