Geometry & MOs

Info

ID:

115695

PubChem CID:

50531298

Reduced:

ClN6O6C35H41 (1)

Stoich.:

AB6C6D35E41 (1)

Weight, g/mol:

676.277611

ΔHf, kcal/mol:

-207.92

Dipole, Da:

9.18

IP(EA), eV:

 -8.82(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[3-[(2-methoxybenzoyl)amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)OC)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N(C)C

DOS

IR

Vibrations