Geometry & MOs

Info

ID:	301224
PubChem CID:	123069341
Reduced:	NO5H27C32 (1)
Stoich.:	AB5C27D32 (1)
Weight, g/mol:	442.182733
ΔH_f, kcal/mol:	-75.28
Dipole, Da:	6.38
IP(EA), eV:	-8.14(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-benzylsulfanyl-5-(2-phenylethyl)-1,2,4-triazol-4-yl]-1-(4-ethoxyphenyl)methanimine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)/C(=C\2/C(N(C(=O)C2=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=CC=C5)/O

DOS

IR

Vibrations