Geometry & MOs

Info

ID:

116277

PubChem CID:

50554462

Reduced:

Cl2O5N6C32H40 (1)

Stoich.:

A2B5C6D32E40 (1)

Weight, g/mol:

698.275024

ΔHf, kcal/mol:

-212.81

Dipole, Da:

13.08

IP(EA), eV:

 -9.06(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-chloro-4-(3-methylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-1-[2-[4-chloro-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(C=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCCC4)Cl

DOS

IR

Vibrations