Geometry & MOs

Info

ID:	151247
PubChem CID:	53790947
Reduced:	NSO2C19H19 (1)
Stoich.:	ABC2D19E19 (1)
Weight, g/mol:	284.037939
ΔH_f, kcal/mol:	-34.74
Dipole, Da:	7.35
IP(EA), eV:	-8.5(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-fluoro-1,3,5-triazin-2-yl)amino]-4-methylbenzenesulfonic acid

Drug info:

PubChemData

Smile

CCN1C(=C(C(=O)C2=C1SC(=C2C)C3=CC=C(C=C3)C=O)C)C

DOS

IR

Vibrations