Geometry & MOs

Info

ID:

98832

PubChem CID:

50046581

Reduced:

F2O4N5C32H35 (1)

Stoich.:

A2B4C5D32E35 (1)

Weight, g/mol:

669.17622

ΔHf, kcal/mol:

-214.1

Dipole, Da:

11.35

IP(EA), eV:

 -8.95(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-1-[1-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations