Geometry & MOs

Info

ID:	70480
PubChem CID:	48413410
Reduced:	OSN2C9H13 (2)
Stoich.:	ABC2D9E13 (2)
Weight, g/mol:	396.165369
ΔH_f, kcal/mol:	-48.79
Dipole, Da:	4.24
IP(EA), eV:	-8.57(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(dipropylsulfamoylamino)piperidin-1-yl]-1,3-benzothiazole

Drug info:

PubChemData

Smile

CC1CCCCN1S(=O)(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations