Geometry & MOs

Info

ID:	63768
PubChem CID:	26759151
Reduced:	ClFNSO3H15C17 (1)
Stoich.:	ABCDE3F15G17 (1)
Weight, g/mol:	428.026742
ΔH_f, kcal/mol:	-139.34
Dipole, Da:	7.17
IP(EA), eV:	-9.11(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC(=CC=C1)F)OC(=O)C2=C(C=CC(=C2)SC)Cl

DOS

IR

Vibrations