Geometry & MOs

Info

ID:

113553

PubChem CID:

50450363

Reduced:

N2O2C13H14 (3)

Stoich.:

A2B2C13D14 (3)

Weight, g/mol:

770.279503

ΔHf, kcal/mol:

-176.55

Dipole, Da:

7.54

IP(EA), eV:

 -8.82(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-[(2-methylbenzoyl)amino]phenyl]-1-[1-[2-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)OC)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations