Geometry & MOs

Info

ID:	127061
PubChem CID:	50989250
Reduced:	NSO2H13C14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	260.098334
ΔH_f, kcal/mol:	-31.91
Dipole, Da:	4.84
IP(EA), eV:	-8.86(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC3=C(S2)C(=O)CCC3

DOS

IR

Vibrations