Geometry & MOs

Info

ID:	89458
PubChem CID:	49961892
Reduced:	BrSO2N3H10C12 (1)
Stoich.:	ABC2D3E10F12 (1)
Weight, g/mol:	273.091355
ΔH_f, kcal/mol:	0.04
Dipole, Da:	4.74
IP(EA), eV:	-9.45(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(C(=C(O1)N)C#N)C2=CC=C(S2)Br)C(=O)N

DOS

IR

Vibrations