Geometry & MOs

Info

ID:	324117
PubChem CID:	126676948
Reduced:	SN2O2C13H18 (1)
Stoich.:	AB2C2D13E18 (1)
Weight, g/mol:	436.11451
ΔH_f, kcal/mol:	-48.62
Dipole, Da:	1.61
IP(EA), eV:	-9.02(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3-fluoro-4-[[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]methylamino]benzoyl]imino-methyliminoazanium

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)COC)N(C=N)C(=O)CSC

DOS

IR

Vibrations