Geometry & MOs

Info

ID:	277453
PubChem CID:	103828632
Reduced:	NSF2O4C11H11 (1)
Stoich.:	ABC2D4E11F11 (1)
Weight, g/mol:	285.038354
ΔH_f, kcal/mol:	-167.42
Dipole, Da:	4.31
IP(EA), eV:	-9.42(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-difluoro-4-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]aniline

Drug info:

PubChemData

Smile

CC(CSC1=C(C=C(C=C1F)[N+](=O)[O-])F)C(=O)OC

DOS

IR

Vibrations