Geometry & MOs

Info

ID:	312349
PubChem CID:	126604371
Reduced:	FO2N7H20C24 (1)
Stoich.:	AB2C7D20E24 (1)
Weight, g/mol:	394.071131
ΔH_f, kcal/mol:	42.76
Dipole, Da:	3.84
IP(EA), eV:	-8.96(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxysulfanyl-2-[[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]diazenyl]naphthalen-1-amine

Drug info:

PubChemData

Smile

C[C@@H](CN1C2=NC=NC(=C2C(=N1)C3=C(C=C(C=C3)OC4=CC=CC=C4)F)N)NC(=O)C(=C)C#N

DOS

IR

Vibrations