Geometry & MOs

Info

ID:	70478
PubChem CID:	48413407
Reduced:	OSN2C9H13 (2)
Stoich.:	ABC2D9E13 (2)
Weight, g/mol:	419.108582
ΔH_f, kcal/mol:	-45.98
Dipole, Da:	4.41
IP(EA), eV:	-8.44(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)S(=O)(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations