Geometry & MOs

Info

ID:	123333
PubChem CID:	50842843
Reduced:	O3N5C24H27 (1)
Stoich.:	A3B5C24D27 (1)
Weight, g/mol:	447.092263
ΔH_f, kcal/mol:	-33.68
Dipole, Da:	2.12
IP(EA), eV:	-8.62(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1=CC=CC(=C1)C)C(=O)CN2C3=C(C=CC(=C3)C4=NOC(=N4)C)N(C2=O)C(C)C

DOS

IR

Vibrations