Geometry & MOs

Info

ID:

101503

PubChem CID:

50064773

Reduced:

F2O4N5C32H35 (1)

Stoich.:

A2B4C5D32E35 (1)

Weight, g/mol:

595.240639

ΔHf, kcal/mol:

-220.76

Dipole, Da:

7.57

IP(EA), eV:

 -8.77(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=C(C=C4)F)C)F

DOS

IR

Vibrations