Geometry & MOs

Info

ID:	172671
PubChem CID:	75539193
Reduced:	SN4C27H28 (1)
Stoich.:	AB4C27D28 (1)
Weight, g/mol:	208.984817
ΔH_f, kcal/mol:	116.6
Dipole, Da:	6.14
IP(EA), eV:	-9.2(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-thiazol-4-ylmethyl carbamimidothioate;hydrochloride

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=NN4C(=NN=C4S3)C56CC7CC(C5)CC(C7)C6

DOS

IR

Vibrations