Geometry & MOs

Info

ID:	181726
PubChem CID:	76783930
Reduced:	OC25H34 (1)
Stoich.:	AB25C34 (1)
Weight, g/mol:	383.957617
ΔH_f, kcal/mol:	-61.17
Dipole, Da:	3.59
IP(EA), eV:	-8.87(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(1,3-benzothiazol-2-yl) 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methoxyiminoethanethioate

Drug info:

PubChemData

Smile

CCCC1CC2=C(C=CC(=C2)C)C3C1C4CC(C(=O)C4(CC3)C)CC=C

DOS

IR

Vibrations