Geometry & MOs

Info

ID:	39709
PubChem CID:	8142010
Reduced:	OSN2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	351.04444
ΔH_f, kcal/mol:	-47.74
Dipole, Da:	3.89
IP(EA), eV:	-8.8(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-nitrobenzamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)SC(=N2)NC(=O)C3CCCC3

DOS

IR

Vibrations