Geometry & MOs

Info

ID:

111476

PubChem CID:

50369777

Reduced:

NOC7H9 (6)

Stoich.:

ABC7D9 (6)

Weight, g/mol:

734.392247

ΔHf, kcal/mol:

-241.37

Dipole, Da:

8.12

IP(EA), eV:

 -8.4(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=C(C=C5)OC)C)C

DOS

IR

Vibrations