Geometry & MOs

Info

ID:	123161
PubChem CID:	50835870
Reduced:	SN3O3C20H21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	397.998419
ΔH_f, kcal/mol:	-13.66
Dipole, Da:	8.29
IP(EA), eV:	-9.22(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C3=NOC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations