Geometry & MOs

Info

ID:	301386
PubChem CID:	123080651
Reduced:	ClOSN4C27H27 (1)
Stoich.:	ABCD4E27F27 (1)
Weight, g/mol:	472.169975
ΔH_f, kcal/mol:	94.39
Dipole, Da:	6.34
IP(EA), eV:	-8.66(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC1=NN=C(N1/N=C\C2=CC=CC=C2COC3=CC=CC=C3)SCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations