Geometry & MOs

Info

ID:	318116
PubChem CID:	126649017
Reduced:	NO5H9C15 (1)
Stoich.:	AB5C9D15 (1)
Weight, g/mol:	309.045964
ΔH_f, kcal/mol:	-41.05
Dipole, Da:	6.43
IP(EA), eV:	-9.84(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(5-cyano-1-benzothiophen-7-yl)-2-hydroxybenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OC2=C3C(=CC(=C2)[N+](=O)[O-])C=CO3

DOS

IR

Vibrations