Geometry & MOs

Info

ID:	121284
PubChem CID:	50762071
Reduced:	O2S2N3C9H9 (1)
Stoich.:	A2B2C3D9E9 (1)
Weight, g/mol:	389.050398
ΔH_f, kcal/mol:	-21.16
Dipole, Da:	2.67
IP(EA), eV:	-8.53(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-amino-5-(furan-2-ylmethylcarbamoyl)-2-sulfanylidene-1,3-thiazol-3-yl]benzoate

Drug info:

PubChemData

Smile

C1=COC(=C1)CN2C(=C(SC2=S)C(=O)N)N

DOS

IR

Vibrations