Geometry & MOs

Info

ID:	347328
PubChem CID:	127272177
Reduced:	SN3O3C16H21 (1)
Stoich.:	AB3C3D16E21 (1)
Weight, g/mol:	384.136845
ΔH_f, kcal/mol:	-100.14
Dipole, Da:	3.14
IP(EA), eV:	-8.73(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)-4-pyridazin-3-ylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=CC(=C(C=C2S1)NC(=O)NCC3CCCOC3)OC

DOS

IR

Vibrations