Geometry & MOs

Info

ID:	89457
PubChem CID:	49961882
Reduced:	N3O5C17H19 (1)
Stoich.:	A3B5C17D19 (1)
Weight, g/mol:	338.96771
ΔH_f, kcal/mol:	-125.0
Dipole, Da:	5.23
IP(EA), eV:	-8.65(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-4-(5-bromothiophen-2-yl)-5-cyano-2-methyl-4H-pyran-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(C(=C(O1)N)C#N)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)N

DOS

IR

Vibrations