Geometry & MOs

Info

ID:	301365
PubChem CID:	123080545
Reduced:	ClOSN4C23H27 (1)
Stoich.:	ABCD4E23F27 (1)
Weight, g/mol:	476.14376
ΔH_f, kcal/mol:	44.95
Dipole, Da:	6.77
IP(EA), eV:	-8.59(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=NN=C(N1/N=C\C2=CC=C(C=C2)OC(C)(C)C)SCC3=CC(=CC=C3)Cl

DOS

IR

Vibrations