Geometry & MOs

Info

ID:	351646
PubChem CID:	127280709
Reduced:	S2O3N5C14H17 (1)
Stoich.:	A2B3C5D14E17 (1)
Weight, g/mol:	364.066383
ΔH_f, kcal/mol:	-52.05
Dipole, Da:	4.06
IP(EA), eV:	-8.82(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2-methyl-1,3-thiazol-4-yl)sulfonyl]piperazin-1-yl]-1,3-benzoxazole

Drug info:

PubChemData

Smile

CC1=NC(=CS1)S(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3)C(=O)N

DOS

IR

Vibrations