Geometry & MOs

Info

ID:	1646
PubChem CID:	4817
Reduced:	OSN2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	286.113984
ΔH_f, kcal/mol:	0.6
Dipole, Da:	1.11
IP(EA), eV:	-8.17(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)CN2C3=C(CCCC3)SC2=N

DOS

IR

Vibrations