Geometry & MOs

Info

ID:	34322
PubChem CID:	7890758
Reduced:	SN2O6C16H16 (1)
Stoich.:	AB2C6D16E16 (1)
Weight, g/mol:	410.094786
ΔH_f, kcal/mol:	-190.24
Dipole, Da:	5.3
IP(EA), eV:	-8.88(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCC(=O)NC2=CC=CC=C2

DOS

IR

Vibrations