Geometry & MOs

Info

ID:	163119
PubChem CID:	57643971
Reduced:	SO4N5H21C22 (1)
Stoich.:	AB4C5D21E22 (1)
Weight, g/mol:	360.161997
ΔH_f, kcal/mol:	-1.12
Dipole, Da:	3.45
IP(EA), eV:	-9.34(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(piperazin-1-ylmethyl)-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)COC2=CC(=CC(=C2)OCCC3=C(N=CS3)C)C(=O)NC4=NC=CN=C4

DOS

IR

Vibrations