Geometry & MOs

Info

ID:	198766
PubChem CID:	79147271
Reduced:	ClNSC11H12 (1)
Stoich.:	ABCD11E12 (1)
Weight, g/mol:	302.091141
ΔH_f, kcal/mol:	12.81
Dipole, Da:	2.21
IP(EA), eV:	-8.97(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(1-thiophen-2-ylbutyl)-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)SC(=N2)CCCCl

DOS

IR

Vibrations