Geometry & MOs

Info

ID:	271802
PubChem CID:	103692804
Reduced:	SN2O3C11H16 (1)
Stoich.:	AB2C3D11E16 (1)
Weight, g/mol:	310.05359
ΔH_f, kcal/mol:	-123.4
Dipole, Da:	2.04
IP(EA), eV:	-9.64(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-fluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CCOC(=O)CCC(=O)NCC1=NC=C(S1)C

DOS

IR

Vibrations