Geometry & MOs

Info

ID:	250575
PubChem CID:	103097610
Reduced:	O2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	294.063841
ΔH_f, kcal/mol:	-15.45
Dipole, Da:	2.61
IP(EA), eV:	-9.1(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-difluoropyridin-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C2=CN3C=C(N(C3=N2)C)C(=O)O)C

DOS

IR

Vibrations