Geometry & MOs

Info

ID:	121294
PubChem CID:	50762081
Reduced:	S2N3O3C13H15 (1)
Stoich.:	A2B3C3D13E15 (1)
Weight, g/mol:	345.060569
ΔH_f, kcal/mol:	-53.62
Dipole, Da:	4.0
IP(EA), eV:	-8.51(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-benzyl-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2=C(N(C(=S)S2)CC3=CC=CO3)N

DOS

IR

Vibrations