Geometry & MOs

Info

ID:	143858
PubChem CID:	53271030
Reduced:	SN3O3H9C11 (1)
Stoich.:	AB3C3D9E11 (1)
Weight, g/mol:	403.099063
ΔH_f, kcal/mol:	-39.85
Dipole, Da:	6.25
IP(EA), eV:	-9.24(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CSC(=C1)CNC(=O)C2=NC=CN=C2C(=O)O

DOS

IR

Vibrations