Geometry & MOs

Info

ID:	449733
PubChem CID:	135301038
Reduced:	ClON2C20H25 (2)
Stoich.:	ABC2D20E25 (2)
Weight, g/mol:	396.208279
ΔH_f, kcal/mol:	-30.95
Dipole, Da:	3.52
IP(EA), eV:	-8.31(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-ethyl-2-(hydroxymethyl)pentanoyl]amino]-5,5,7,7-tetramethyl-4H-thieno[2,3-c]pyran-3-carboxamide

Drug info:

PubChemData

Smile

C1CCCCCCC(CCCCC1)(CC2=CC(=CC=C2)/C=C/C3=NN(C4=C3C=C(C=C4)OCC5=C(C=NC=C5Cl)Cl)C6CCCCO6)N

DOS

IR

Vibrations