Geometry & MOs

Info

ID:	27636
PubChem CID:	822741
Reduced:	O2N3C11H13 (1)
Stoich.:	A2B3C11D13 (1)
Weight, g/mol:	338.016828
ΔH_f, kcal/mol:	-43.17
Dipole, Da:	4.63
IP(EA), eV:	-9.72(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one

Drug info:

PubChemData

Smile

C1[C@H]([C@H](C(=O)N1)C(=O)NN)C2=CC=CC=C2

DOS

IR

Vibrations