Geometry & MOs

Info

ID:	80840
PubChem CID:	49846419
Reduced:	N3O3H13C14 (1)
Stoich.:	A3B3C13D14 (1)
Weight, g/mol:	326.072513
ΔH_f, kcal/mol:	-22.35
Dipole, Da:	6.43
IP(EA), eV:	-9.24(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[1-(1-benzothiophen-2-ylmethyl)-2-oxopyridin-3-yl]-N-hydroxyprop-2-enamide

Drug info:

PubChemData

Smile

C1=CN(C(=O)C(=C1)/C=C/C(=O)NO)CC2=CC=NC=C2

DOS

IR

Vibrations