Geometry & MOs

Info

ID:

95635

PubChem CID:

50010880

Reduced:

FO5N6C33H37 (1)

Stoich.:

AB5C6D33E37 (1)

Weight, g/mol:

630.296597

ΔHf, kcal/mol:

-207.35

Dipole, Da:

11.88

IP(EA), eV:

 -8.99(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC(=C3)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations