Geometry & MOs

Info

ID:	390281
PubChem CID:	134998265
Reduced:	NOSH7C8 (2)
Stoich.:	ABCD7E8 (2)
Weight, g/mol:	329.181336
ΔH_f, kcal/mol:	39.35
Dipole, Da:	3.44
IP(EA), eV:	-8.45(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,E)-N-[(3-methoxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfanyl]-3-phenylprop-2-en-1-imine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)/C=N/SC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations