Geometry & MOs

Info

ID:	156756
PubChem CID:	56374257
Reduced:	SN4O4H20C22 (1)
Stoich.:	AB4C4D20E22 (1)
Weight, g/mol:	418.156243
ΔH_f, kcal/mol:	13.54
Dipole, Da:	4.66
IP(EA), eV:	-9.12(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methyl-4-[2-morpholin-4-ylethyl(phenyl)sulfamoyl]benzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)NC(C2=CC=CC=C2)C3=NC4=CC=CC=C4N3C

DOS

IR

Vibrations