Geometry & MOs

Info

ID:

120422

PubChem CID:

50726363

Reduced:

Cl2O5N6C35H40 (1)

Stoich.:

A2B5C6D35E40 (1)

Weight, g/mol:

742.243724

ΔHf, kcal/mol:

-195.37

Dipole, Da:

12.18

IP(EA), eV:

 -8.6(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-5-[(4-methylbenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[2-chloro-5-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=C(C=C1)Cl)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4C)Cl

DOS

IR

Vibrations