Geometry & MOs

Info

ID:	189637
PubChem CID:	77883549
Reduced:	SN2O3C9H11 (2)
Stoich.:	AB2C3D9E11 (2)
Weight, g/mol:	310.141638
ΔH_f, kcal/mol:	-171.89
Dipole, Da:	4.93
IP(EA), eV:	-9.38(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-hydroxy-6-methoxy-2-(phenylmethoxymethyl)oxan-3-yl]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)CNN=CC1(CN2C(C(C2=O)N(C3=CC=CS3)C(=O)C)SC1)C(=O)O

DOS

IR

Vibrations