Geometry & MOs

Info

ID:	301412
PubChem CID:	123080714
Reduced:	ClFSO2N4H24C27 (1)
Stoich.:	ABCD2E4F24G27 (1)
Weight, g/mol:	522.04919
ΔH_f, kcal/mol:	8.42
Dipole, Da:	7.67
IP(EA), eV:	-8.9(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC1=NN=C(N1/N=C\C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)F)SCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations