Geometry & MOs

Info

ID:	123334
PubChem CID:	50842851
Reduced:	S2N3O5C20H21 (1)
Stoich.:	A2B3C5D20E21 (1)
Weight, g/mol:	439.047205
ΔH_f, kcal/mol:	-85.08
Dipole, Da:	9.54
IP(EA), eV:	-8.49(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(E)-2-[5-[(3,4-difluorophenyl)sulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NS(=O)(=O)C2=CC=C(S2)/C=C/C3=C(C(=NO3)C)NC(=O)C

DOS

IR

Vibrations