Geometry & MOs

Info

ID:	301657
PubChem CID:	123090174
Reduced:	SCl2O2N4H26C27 (1)
Stoich.:	AB2C2D4E26F27 (1)
Weight, g/mol:	544.065816
ΔH_f, kcal/mol:	56.19
Dipole, Da:	6.71
IP(EA), eV:	-8.88(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-[3-[(4-chlorophenyl)methoxy]phenyl]-N-[3-[(2,4-dichlorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-yl]methanimine

Drug info:

PubChemData

Smile

CCCC1=NN=C(N1/N=C\C2=C(C(=CC=C2)OC)OCC3=CC=CC=C3)SCC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations