Geometry & MOs

Info

ID:	68733
PubChem CID:	46508997
Reduced:	NO7C23H25 (1)
Stoich.:	AB7C23D25 (1)
Weight, g/mol:	383.100286
ΔH_f, kcal/mol:	-243.59
Dipole, Da:	5.77
IP(EA), eV:	-8.68(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3-difluorophenyl)methyl 4-(butan-2-ylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)OCC(=O)OC)C3=CC=CC=C3OC

DOS

IR

Vibrations