Geometry & MOs

Info

ID:	251112
PubChem CID:	103101549
Reduced:	SN2O5C11H14 (1)
Stoich.:	AB2C5D11E14 (1)
Weight, g/mol:	363.97286
ΔH_f, kcal/mol:	-185.48
Dipole, Da:	4.14
IP(EA), eV:	-9.91(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-4-bromobenzoic acid

Drug info:

PubChemData

Smile

CCN(CC(=O)N)S(=O)(=O)C1=CC=CC(=C1)C(=O)O

DOS

IR

Vibrations