Geometry & MOs

Info

ID:	54239
PubChem CID:	16955394
Reduced:	SN3O4C17H17 (1)
Stoich.:	AB3C4D17E17 (1)
Weight, g/mol:	383.130363
ΔH_f, kcal/mol:	-59.43
Dipole, Da:	6.98
IP(EA), eV:	-8.24(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC2=NC(=CS2)C(=O)NCC3=CC=CO3)OC

DOS

IR

Vibrations