Geometry & MOs

Info

ID:

100059

PubChem CID:

50057953

Reduced:

ClF2O5N6C41H47 (1)

Stoich.:

AB2C5D6E41F47 (1)

Weight, g/mol:

784.295152

ΔHf, kcal/mol:

-284.97

Dipole, Da:

13.14

IP(EA), eV:

 -8.82(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-[(2-methylbenzoyl)amino]phenyl]-1-[1-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)NC(=O)C6CCCCC6)Cl

DOS

IR

Vibrations