Geometry & MOs

Info

ID:

112201

PubChem CID:

50398238

Reduced:

Cl2O4N5C33H43 (1)

Stoich.:

A2B4C5D33E43 (1)

Weight, g/mol:

643.26921

ΔHf, kcal/mol:

-195.49

Dipole, Da:

2.32

IP(EA), eV:

 -8.83(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-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)NC(C)C(=O)NC4=C(C(=CC=C4)Cl)Cl)C

DOS

IR

Vibrations