Geometry & MOs

Info

ID:

109109

PubChem CID:

50273253

Reduced:

ClO4N5C34H38 (1)

Stoich.:

AB4C5D34E38 (1)

Weight, g/mol:

728.293403

ΔHf, kcal/mol:

-128.78

Dipole, Da:

1.27

IP(EA), eV:

 -8.79(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(2,4-difluorophenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-1-[2-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC=C5Cl

DOS

IR

Vibrations