Geometry & MOs

Info

ID:

92763

PubChem CID:

49989488

Reduced:

FO4N5C32H42 (1)

Stoich.:

AB4C5D32E42 (1)

Weight, g/mol:

666.329646

ΔHf, kcal/mol:

-219.86

Dipole, Da:

6.24

IP(EA), eV:

 -8.82(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)C)F

DOS

IR

Vibrations