Geometry & MOs

Info

ID:

108042

PubChem CID:

50227674

Reduced:

N6O6C37H46 (1)

Stoich.:

A6B6C37D46 (1)

Weight, g/mol:

756.324703

ΔHf, kcal/mol:

-212.71

Dipole, Da:

10.02

IP(EA), eV:

 -8.77(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[3-[(2-fluorobenzoyl)amino]-4-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=CC=C3)NC(=O)C4=CC(=CC=C4)OC)C

DOS

IR

Vibrations