Geometry & MOs

Info

ID:	272379
PubChem CID:	103740657
Reduced:	SF2N2O3C12H12 (1)
Stoich.:	AB2C2D3E12F12 (1)
Weight, g/mol:	313.033269
ΔH_f, kcal/mol:	-119.64
Dipole, Da:	4.71
IP(EA), eV:	-8.98(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-difluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1CN(CCS1)C(=O)C2=C(C=CC(=C2F)[N+](=O)[O-])F

DOS

IR

Vibrations