Geometry & MOs

Info

ID:	171802
PubChem CID:	75428182
Reduced:	N2O2S2C15H22 (1)
Stoich.:	A2B2C2D15E22 (1)
Weight, g/mol:	291.104148
ΔH_f, kcal/mol:	-73.92
Dipole, Da:	1.64
IP(EA), eV:	-8.8(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(2,1,3-benzothiadiazol-4-ylmethyl)piperidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CN(CC(=O)NC2CCSC2=O)C(C)C

DOS

IR

Vibrations