Geometry & MOs

Info

ID:	38227
PubChem CID:	8028205
Reduced:	N2O4C25H35 (1)
Stoich.:	A2B4C25D35 (1)
Weight, g/mol:	305.036281
ΔH_f, kcal/mol:	-154.85
Dipole, Da:	17.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.036592
Charge, e:	-1

Chem-info

IUPAC name:

4-chloro-2-(dimethylamino)-5-(dimethylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)O[C@@H](C)C(=O)NC4CC([NH2+]C(C4)(C)C)(C)C

DOS

IR

Vibrations