Geometry & MOs

Info

ID:	192502
PubChem CID:	78278371
Reduced:	ClFSN2O3H14C15 (1)
Stoich.:	ABCD2E3F14G15 (1)
Weight, g/mol:	284.095654
ΔH_f, kcal/mol:	-153.85
Dipole, Da:	10.01
IP(EA), eV:	-8.98(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[(4-tert-butylphenyl)sulfonylamino]propanoate

Drug info:

PubChemData

Smile

C1CC2C(CC1C(=O)O)NC(=S)N(C2=O)C3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations