Geometry & MOs

Info

ID:	39714
PubChem CID:	8142025
Reduced:	SN2O2C17H20 (1)
Stoich.:	AB2C2D17E20 (1)
Weight, g/mol:	347.093977
ΔH_f, kcal/mol:	-46.47
Dipole, Da:	4.95
IP(EA), eV:	-8.7(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)SC(=N2)NC(=O)COC3=CC=CC=C3C

DOS

IR

Vibrations