Geometry & MOs

Info

ID:

106128

PubChem CID:

50150104

Reduced:

N6O6C35H48 (1)

Stoich.:

A6B6C35D48 (1)

Weight, g/mol:

640.313996

ΔHf, kcal/mol:

-259.55

Dipole, Da:

7.27

IP(EA), eV:

 -8.02(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-2-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-4-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC(C)C)C)OC

DOS

IR

Vibrations