Geometry & MOs

Info

ID:	362077
PubChem CID:	127305689
Reduced:	SO2N3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	381.154469
ΔH_f, kcal/mol:	-75.96
Dipole, Da:	7.24
IP(EA), eV:	-9.3(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)C(CCC2)N(C)C(=O)[C@H]3CCC(=O)N3

DOS

IR

Vibrations