Geometry & MOs

Info

ID:	59656
PubChem CID:	24891968
Reduced:	SN3O6C24H27 (1)
Stoich.:	AB3C6D24E27 (1)
Weight, g/mol:	564.199561
ΔH_f, kcal/mol:	-186.31
Dipole, Da:	8.55
IP(EA), eV:	-8.04(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(azepan-1-ylsulfonyl)-N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCCC4)OC

DOS

IR

Vibrations