Geometry & MOs

Info

ID:	77653
PubChem CID:	49658587
Reduced:	BrS2N3O3H16C20 (1)
Stoich.:	AB2C3D3E16F20 (1)
Weight, g/mol:	445.032161
ΔH_f, kcal/mol:	34.69
Dipole, Da:	3.88
IP(EA), eV:	-9.08(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N(C)S(=O)(=O)C2=C(SC=C2)C3=NC(=NO3)C4=CC(=CC=C4)Br

DOS

IR

Vibrations