Geometry & MOs

Info

ID:	313990
PubChem CID:	126619433
Reduced:	S2N3C20H25 (1)
Stoich.:	A2B3C20D25 (1)
Weight, g/mol:	216.997969
ΔH_f, kcal/mol:	44.94
Dipole, Da:	2.28
IP(EA), eV:	-8.45(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(carbamothioylamino)-1,3-thiazol-5-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C2=CSC(=N2)NC3=C(C=CC=C3C(C)C)C(C)C

DOS

IR

Vibrations