Geometry & MOs

Info

ID:

97089

PubChem CID:

50027674

Reduced:

ClO5N6C41H45 (1)

Stoich.:

AB5C6D41E45 (1)

Weight, g/mol:

714.277753

ΔHf, kcal/mol:

-162.31

Dipole, Da:

7.4

IP(EA), eV:

 -8.52(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)C)Cl

DOS

IR

Vibrations