Geometry & MOs

Info

ID:	301574
PubChem CID:	123086562
Reduced:	BrSO2N4C19H19 (1)
Stoich.:	ABC2D4E19F19 (1)
Weight, g/mol:	478.0463
ΔH_f, kcal/mol:	60.68
Dipole, Da:	8.35
IP(EA), eV:	-8.86(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-[(4-bromophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-[2-(phenoxymethyl)phenyl]methanimine

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)/C=N\N2C=NN=C2SCC3=CC=C(C=C3)Br)OC

DOS

IR

Vibrations