Geometry & MOs

Info

ID:	78012
PubChem CID:	49681540
Reduced:	S2N3O4C19H25 (1)
Stoich.:	A2B3C4D19E25 (1)
Weight, g/mol:	407.133734
ΔH_f, kcal/mol:	-127.09
Dipole, Da:	2.45
IP(EA), eV:	-8.96(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C(C)C

DOS

IR

Vibrations