Geometry & MOs

Info

ID:	301586
PubChem CID:	123086895
Reduced:	BrOSN4H19C22 (1)
Stoich.:	ABCD4E19F22 (1)
Weight, g/mol:	539.96532
ΔH_f, kcal/mol:	102.95
Dipole, Da:	5.01
IP(EA), eV:	-9.12(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(2-bromo-3,4-dimethoxyphenyl)-N-[3-[(4-bromophenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-yl]methanimine

Drug info:

PubChemData

Smile

CCC1=NN=C(N1N/C=C/2\C(=O)C=CC3=CC=CC=C32)SCC4=CC=C(C=C4)Br

DOS

IR

Vibrations