Geometry & MOs

Info

ID:	243549
PubChem CID:	99226744
Reduced:	SN2O7H12C15 (1)
Stoich.:	AB2C7D12E15 (1)
Weight, g/mol:	460.092678
ΔH_f, kcal/mol:	-153.82
Dipole, Da:	3.36
IP(EA), eV:	-10.06(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C(=O)N

DOS

IR

Vibrations