Geometry & MOs

Info

ID:	429409
PubChem CID:	135169440
Reduced:	OS2N5C30H31 (1)
Stoich.:	AB2C5D30E31 (1)
Weight, g/mol:	196.030649
ΔH_f, kcal/mol:	80.36
Dipole, Da:	3.06
IP(EA), eV:	-9.08(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-methoxy-1,3-benzothiazol-6-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C2=NC3=C(S2)CNC3)C4=C(C(=CC=C4)C5=NC6=C(S5)CN(C6)C(=O)CN7CCCC7)C

DOS

IR

Vibrations