Geometry & MOs

Info

ID:	148419
PubChem CID:	53788081
Reduced:	ClF2C28H35 (1)
Stoich.:	AB2C28D35 (1)
Weight, g/mol:	271.087829
ΔH_f, kcal/mol:	-119.98
Dipole, Da:	4.62
IP(EA), eV:	-9.22(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(N-ethyl-4-formylanilino)propane-1-sulfonic acid

Drug info:

PubChemData

Smile

CCC1CCC(CC1)CCC2CCC(CC2)C3=CC=C(C=C3)C4=CC(=C(C(=C4)F)Cl)F

DOS

IR

Vibrations