Geometry & MOs

Info

ID:	164963
PubChem CID:	74478426
Reduced:	NO4H12C18 (1)
Stoich.:	AB4C12D18 (1)
Weight, g/mol:	427.092343
ΔH_f, kcal/mol:	-32.93
Dipole, Da:	3.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.167895
Charge, e:	0

Chem-info

IUPAC name:

4-(4-ethoxyphenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-1,1-dioxothiolan-3-amine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NC(=CC3=CC=C(C=C3)C(=O)[O-])C(=O)O2

DOS

IR

Vibrations