Geometry & MOs

Info

ID:	342974
PubChem CID:	127266137
Reduced:	FNSO5C14H18 (1)
Stoich.:	ABCD5E14F18 (1)
Weight, g/mol:	345.124609
ΔH_f, kcal/mol:	-224.21
Dipole, Da:	3.77
IP(EA), eV:	-9.35(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-hydroxy-4-[(2-methoxy-3-methylbutyl)sulfonylamino]benzoate

Drug info:

PubChemData

Smile

COC(CS(=O)(=O)NC1=C(C(=CC=C1)F)C(=O)OC)C2CC2

DOS

IR

Vibrations