Geometry & MOs

Info

ID:	214427
PubChem CID:	84982045
Reduced:	N2O3C24H24 (1)
Stoich.:	A2B3C24D24 (1)
Weight, g/mol:	413.080259
ΔH_f, kcal/mol:	-53.17
Dipole, Da:	2.14
IP(EA), eV:	-9.2(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC(C)C4CC4

DOS

IR

Vibrations