Geometry & MOs

Info

ID:

115044

PubChem CID:

50506731

Reduced:

ClN6O6C33H37 (1)

Stoich.:

AB6C6D33E37 (1)

Weight, g/mol:

648.246311

ΔHf, kcal/mol:

-207.93

Dipole, Da:

7.77

IP(EA), eV:

 -8.9(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(3-carbamoyl-4-chloroanilino)-1-oxopropan-2-yl]-N-[3-[3-[(2-methoxybenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=CC=C3)NC(=O)C4=CC(=CC=C4)OC

DOS

IR

Vibrations