Geometry & MOs

Info

ID:	78014
PubChem CID:	49681542
Reduced:	S2N3O3C19H25 (1)
Stoich.:	A2B3C3D19E25 (1)
Weight, g/mol:	421.149384
ΔH_f, kcal/mol:	-91.8
Dipole, Da:	4.23
IP(EA), eV:	-8.94(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C(C)C

DOS

IR

Vibrations