Geometry & MOs

Info

ID:	301578
PubChem CID:	123086635
Reduced:	BrSO2N4H15C18 (1)
Stoich.:	ABC2D4E15F18 (1)
Weight, g/mol:	439.92649
ΔH_f, kcal/mol:	53.49
Dipole, Da:	6.8
IP(EA), eV:	-8.88(-1.02)
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-(2,6-dichlorophenyl)methanimine

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=C(C=C1)/C=N\N2C=NN=C2SCC3=CC=C(C=C3)Br

DOS

IR

Vibrations