Geometry & MOs

Info

ID:	32465
PubChem CID:	7837028
Reduced:	S2N3O3H17C19 (1)
Stoich.:	A2B3C3D17E19 (1)
Weight, g/mol:	418.156243
ΔH_f, kcal/mol:	28.2
Dipole, Da:	3.91
IP(EA), eV:	-8.79(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methylpropylamino)-2-oxoethyl] 5-(benzylsulfamoyl)-2-methylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NC(=CS2)C3=CC=CC=C3)C

DOS

IR

Vibrations