Geometry & MOs

Info

ID:

103722

PubChem CID:

50072440

Reduced:

F3O4N5H34C36 (1)

Stoich.:

A3B4C5D34E36 (1)

Weight, g/mol:

674.298346

ΔHf, kcal/mol:

-223.94

Dipole, Da:

6.65

IP(EA), eV:

 -8.64(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(=O)NC5=C(C=CC(=C5)F)F)F

DOS

IR

Vibrations