Geometry & MOs

Info

ID:	59979
PubChem CID:	26522162
Reduced:	N2O3C24H33 (1)
Stoich.:	A2B3C24D33 (1)
Weight, g/mol:	285.103479
ΔH_f, kcal/mol:	-87.28
Dipole, Da:	5.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.195136
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(2-methylbutan-2-ylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CN(C)C(=O)C[NH+]2CCC[C@@H]2C3=C(C=CC(=C3)OC)OC)C

DOS

IR

Vibrations