Geometry & MOs

Info

ID:	449728
PubChem CID:	135301004
Reduced:	SF2N2O3C17H24 (1)
Stoich.:	AB2C2D3E17F24 (1)
Weight, g/mol:	396.133063
ΔH_f, kcal/mol:	-252.32
Dipole, Da:	4.45
IP(EA), eV:	-8.67(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5,7,7-tetramethyl-2-[(3,3,3-trifluoro-1,2-dihydroxy-2-methylpropyl)amino]-4H-thieno[2,3-c]pyran-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2=C(C(O1)(C)C)SC(=C2C(N)O)NC(=O)C3CC(C3)(F)F)C

DOS

IR

Vibrations