Geometry & MOs

Info

ID:	55996
PubChem CID:	17398277
Reduced:	SO3N5C17H23 (1)
Stoich.:	AB3C5D17E23 (1)
Weight, g/mol:	415.102434
ΔH_f, kcal/mol:	-69.14
Dipole, Da:	2.11
IP(EA), eV:	-8.8(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-benzothiazole-6-carboxamide

Drug info:

PubChemData

Smile

CCC1(C(=O)N(C(=O)N1)NC(=O)C2=CC3=C(S2)N(N=C3C)CC(C)C)C

DOS

IR

Vibrations