Geometry & MOs

Info

ID:

116112

PubChem CID:

50547563

Reduced:

Cl2O5N6C35H48 (1)

Stoich.:

A2B5C6D35E48 (1)

Weight, g/mol:

664.313996

ΔHf, kcal/mol:

-243.7

Dipole, Da:

13.34

IP(EA), eV:

 -8.8(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)Cl)C(=O)NCC(C)C)Cl

DOS

IR

Vibrations