Geometry & MOs

Info

ID:	229300
PubChem CID:	87567360
Reduced:	SN2O3H14C16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	440.262147
ΔH_f, kcal/mol:	-47.3
Dipole, Da:	3.28
IP(EA), eV:	-8.9(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butoxy-3-hydroxybutanedioic acid;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=NC2=CC=CC=C2S1)OC3=CC=C(C=C3)O

DOS

IR

Vibrations