Geometry & MOs

Info

ID:

114687

PubChem CID:

50492718

Reduced:

O5N6C36H44 (1)

Stoich.:

A5B6C36D44 (1)

Weight, g/mol:

710.302825

ΔHf, kcal/mol:

-185.03

Dipole, Da:

3.58

IP(EA), eV:

 -8.73(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(4-fluoro-2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-1-[1-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC=CC=C1NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC=CC=C4C

DOS

IR

Vibrations