Geometry & MOs

Info

ID:	358713
PubChem CID:	127296527
Reduced:	SO2N3C17H27 (1)
Stoich.:	AB2C3D17E27 (1)
Weight, g/mol:	351.198048
ΔH_f, kcal/mol:	-69.57
Dipole, Da:	3.07
IP(EA), eV:	-8.73(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-propoxyazepan-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CCCOC1CCCN(CC1)CC(=O)NC2=NC3=C(S2)CCC3

DOS

IR

Vibrations