Geometry & MOs

Info

ID:

104312

PubChem CID:

50104004

Reduced:

ClO4N5C33H38 (1)

Stoich.:

AB4C5D33E38 (1)

Weight, g/mol:

575.20661

ΔHf, kcal/mol:

-137.88

Dipole, Da:

4.1

IP(EA), eV:

 -8.95(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3,5-dichloroanilino)-2-oxoethyl]-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=CC=C4)Cl

DOS

IR

Vibrations