Geometry & MOs

Info

ID:	44320
PubChem CID:	10502717
Reduced:	S2N3O6C17H23 (1)
Stoich.:	A2B3C6D17E23 (1)
Weight, g/mol:	430.179361
ΔH_f, kcal/mol:	-155.3
Dipole, Da:	8.52
IP(EA), eV:	-9.2(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-4-methyl-N-(1,3,5-triphenyl-1,2,4-triazol-1-ium-4-yl)benzenecarboximidate

Drug info:

PubChemData

Smile

COC1=C2CNC(=O)CSCCOCCSCC(=O)NCC1=CC(=C2)[N+](=O)[O-]

DOS

IR

Vibrations