Geometry & MOs

Info

ID:

94180

PubChem CID:

49998905

Reduced:

N6O6C31H42 (1)

Stoich.:

A6B6C31D42 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-246.36

Dipole, Da:

8.07

IP(EA), eV:

 -8.19(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-2-(propylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)NC(=O)C)OC

DOS

IR

Vibrations