Geometry & MOs

Info

ID:	143320
PubChem CID:	53187924
Reduced:	SN2O4C22H26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	414.172562
ΔH_f, kcal/mol:	-130.34
Dipole, Da:	5.87
IP(EA), eV:	-8.38(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetylpiperazin-1-yl)-N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)NC(=O)C2CCC3=C(C2)C=C(S3)C(=O)N4CCCC4

DOS

IR

Vibrations