Geometry & MOs

Info

ID:	301572
PubChem CID:	123086541
Reduced:	BrSO2N4C26H33 (1)
Stoich.:	ABC2D4E26F33 (1)
Weight, g/mol:	391.9765
ΔH_f, kcal/mol:	25.32
Dipole, Da:	9.64
IP(EA), eV:	-8.9(-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-(3-methylthiophen-2-yl)methanimine

Drug info:

PubChemData

Smile

CCCCCCCCCOC1=C(C=C(C=C1)/C=N\N2C=NN=C2SCC3=CC=C(C=C3)Br)OC

DOS

IR

Vibrations