Geometry & MOs

Info

ID:	99993
PubChem CID:	50056921
Reduced:	O4N5C35H41 (1)
Stoich.:	A4B5C35D41 (1)
Weight, g/mol:	595.315855
ΔH_f, kcal/mol:	-128.37
Dipole, Da:	4.84
IP(EA), eV:	-8.8(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(cyclohexylcarbamoyl)phenyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)C

DOS

IR

Vibrations