Geometry & MOs

Info

ID:

98044

PubChem CID:

50038651

Reduced:

FO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

750.274417

ΔHf, kcal/mol:

-232.72

Dipole, Da:

11.59

IP(EA), eV:

 -8.94(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(morpholine-4-carbonyl)phenyl]-1-[1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]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)C)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=C(C=C4)C(=O)NC5CCCCC5

DOS

IR

Vibrations