Geometry & MOs

Info

ID:	54238
PubChem CID:	16955372
Reduced:	SN3O5C16H21 (1)
Stoich.:	AB3C5D16E21 (1)
Weight, g/mol:	359.093977
ΔH_f, kcal/mol:	-144.81
Dipole, Da:	2.63
IP(EA), eV:	-8.19(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyanilino)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC2=NC(=CS2)C(=O)NCC(OC)OC)OC

DOS

IR

Vibrations