Geometry & MOs

Info

ID:	38232
PubChem CID:	8028340
Reduced:	SO3N4C16H22 (1)
Stoich.:	AB3C4D16E22 (1)
Weight, g/mol:	375.191997
ΔH_f, kcal/mol:	-57.19
Dipole, Da:	7.06
IP(EA), eV:	-8.98(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2S)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2-morpholin-4-ium-4-ylethyl)propanamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C#N

DOS

IR

Vibrations