Geometry & MOs

Info

ID:

118648

PubChem CID:

50652372

Reduced:

ClN6O6C35H41 (1)

Stoich.:

AB6C6D35E41 (1)

Weight, g/mol:

676.277611

ΔHf, kcal/mol:

-218.0

Dipole, Da:

11.18

IP(EA), eV:

 -8.55(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-N-[2-[4-[(2-methoxybenzoyl)amino]-3-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC(C)C)Cl)NC(=O)C4=CC(=CC=C4)OC

DOS

IR

Vibrations