Geometry & MOs

Info

ID:	416328
PubChem CID:	135089341
Reduced:	ClN2O3C16H17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	327.150429
ΔH_f, kcal/mol:	-104.34
Dipole, Da:	6.32
IP(EA), eV:	-9.37(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(butylsulfanylmethyl)-5-methylfuran-2-yl]-[3-(hydroxymethyl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C(C=CN=C12)N3CC[C@H]([C@H](C3)C(=O)O)O)Cl

DOS

IR

Vibrations