Geometry & MOs

Info

ID:	139043
PubChem CID:	52463989
Reduced:	S2N3O4C17H23 (1)
Stoich.:	A2B3C4D17E23 (1)
Weight, g/mol:	422.151158
ΔH_f, kcal/mol:	-119.39
Dipole, Da:	5.13
IP(EA), eV:	-9.39(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethoxyphenyl)methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)S[C@H](C)C(=O)NCC2=CC=CO2

DOS

IR

Vibrations