Geometry & MOs

Info

ID:	11195
PubChem CID:	111695
Reduced:	NSO3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	305.108565
ΔH_f, kcal/mol:	-91.34
Dipole, Da:	3.03
IP(EA), eV:	-8.22(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(N-ethyl-3-methylanilino)methyl]benzenesulfonic acid

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1S(=O)(=O)O)C2=CC=CC(=C2)C

DOS

IR

Vibrations