Geometry & MOs

Info

ID:

114230

PubChem CID:

50474788

Reduced:

F3O5N6C33H35 (1)

Stoich.:

A3B5C6D33E35 (1)

Weight, g/mol:

638.246453

ΔHf, kcal/mol:

-302.91

Dipole, Da:

3.72

IP(EA), eV:

 -8.88(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-acetamido-4-fluoroanilino)-2-oxoethyl]-1-[2-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=CC=C4F)F)F

DOS

IR

Vibrations