Geometry & MOs

Info

ID:	55426
PubChem CID:	17395386
Reduced:	ClSN2O3H11C15 (1)
Stoich.:	ABC2D3E11F15 (1)
Weight, g/mol:	329.092417
ΔH_f, kcal/mol:	-57.03
Dipole, Da:	7.03
IP(EA), eV:	-9.07(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl furan-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=O)N=C(N2)COC(=O)C3=CC=C(S3)Cl

DOS

IR

Vibrations