Geometry & MOs

Info

ID:	138949
PubChem CID:	52448360
Reduced:	SN2O2H18C23 (1)
Stoich.:	AB2C2D18E23 (1)
Weight, g/mol:	430.098728
ΔH_f, kcal/mol:	25.1
Dipole, Da:	6.27
IP(EA), eV:	-8.7(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-2-(2-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=NC(=C(S2)C(=O)NC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations