Geometry & MOs

Info

ID:

118628

PubChem CID:

50650648

Reduced:

Cl2O5N6C31H40 (1)

Stoich.:

A2B5C6D31E40 (1)

Weight, g/mol:

676.277611

ΔHf, kcal/mol:

-225.16

Dipole, Da:

6.68

IP(EA), eV:

 -8.98(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-benzamido-3-methoxyanilino)-3-oxopropyl]-1-[1-[2-chloro-5-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NCC(C)C)Cl)Cl

DOS

IR

Vibrations