Geometry & MOs

Info

ID:	78013
PubChem CID:	49681541
Reduced:	S2N3O3C19H25 (1)
Stoich.:	A2B3C3D19E25 (1)
Weight, g/mol:	407.133734
ΔH_f, kcal/mol:	-86.33
Dipole, Da:	3.79
IP(EA), eV:	-8.92(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylpiperidin-1-yl)sulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C(C)C

DOS

IR

Vibrations