Geometry & MOs

Info

ID:

100058

PubChem CID:

50057952

Reduced:

ClF2O5N6C39H45 (1)

Stoich.:

AB2C5D6E39F45 (1)

Weight, g/mol:

776.326453

ΔHf, kcal/mol:

-279.04

Dipole, Da:

5.96

IP(EA), eV:

 -8.56(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(cyclohexanecarbonylamino)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

CCC(C)C(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=C(C=C5)F)F)C

DOS

IR

Vibrations