Geometry & MOs

Info

ID:	68864
PubChem CID:	46509735
Reduced:	FSO2N5H16C23 (1)
Stoich.:	ABC2D5E16F23 (1)
Weight, g/mol:	488.117921
ΔH_f, kcal/mol:	46.37
Dipole, Da:	4.37
IP(EA), eV:	-9.53(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N=C1COC(=O)C3=NN(C(=N3)C4=CC=CS4)C5=CC=C(C=C5)F

DOS

IR

Vibrations