Geometry & MOs

Info

ID:	339764
PubChem CID:	127261773
Reduced:	SN4O4C12H16 (1)
Stoich.:	AB4C4D12E16 (1)
Weight, g/mol:	258.104465
ΔH_f, kcal/mol:	-116.75
Dipole, Da:	2.41
IP(EA), eV:	-8.85(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-(naphthalen-1-ylmethylidene)-1H-2-benzofuran

Drug info:

PubChemData

Smile

CC1=NC2=C(C(=N1)SC)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

DOS

IR

Vibrations