Geometry & MOs

Info

ID:

105229

PubChem CID:

50106685

Reduced:

O5N6C33H38 (1)

Stoich.:

A5B6C33D38 (1)

Weight, g/mol:

620.255875

ΔHf, kcal/mol:

-171.75

Dipole, Da:

9.38

IP(EA), eV:

 -8.84(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[1-[4-fluoro-3-[(2-fluorobenzoyl)amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)N)C

DOS

IR

Vibrations