Geometry & MOs

Info

ID:	111756
PubChem CID:	50380586
Reduced:	O4N5C34H47 (1)
Stoich.:	A4B5C34D47 (1)
Weight, g/mol:	533.300205
ΔH_f, kcal/mol:	-183.86
Dipole, Da:	4.52
IP(EA), eV:	-8.74(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-carbamoylphenyl)-1-[2-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC(=C4)C)C

DOS

IR

Vibrations