Geometry & MOs

Info

ID:	360598
PubChem CID:	127301243
Reduced:	SN2O3C18H30 (1)
Stoich.:	AB2C3D18E30 (1)
Weight, g/mol:	353.177313
ΔH_f, kcal/mol:	-133.82
Dipole, Da:	9.29
IP(EA), eV:	-9.25(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanocyclohexyl)-2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-N-methylacetamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)CCCN2C(=O)CN(C3CC3)C4CCS(=O)(=O)C4

DOS

IR

Vibrations