Geometry & MOs

Info

ID:	353721
PubChem CID:	127285298
Reduced:	ClSN2O3C18H25 (1)
Stoich.:	ABC2D3E18F25 (1)
Weight, g/mol:	345.16079
ΔH_f, kcal/mol:	-118.18
Dipole, Da:	4.93
IP(EA), eV:	-9.41(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(4-chlorophenyl)cyclobutyl]amino]-N-(1-cyanocyclohexyl)acetamide

Drug info:

PubChemData

Smile

CCN(C1CCS(=O)(=O)C1)C(=O)CNC2(CCC2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations