Geometry & MOs

Info

ID:

117249

PubChem CID:

50595823

Reduced:

ClO5N6C36H47 (1)

Stoich.:

AB5C6D36E47 (1)

Weight, g/mol:

672.259374

ΔHf, kcal/mol:

-226.57

Dipole, Da:

1.88

IP(EA), eV:

 -9.11(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[3-chloro-4-(methylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)NC2CCCC2)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=C(C=C4)C(=O)NC5CCCCC5

DOS

IR

Vibrations