Geometry & MOs

Info

ID:	159225
PubChem CID:	57264445
Reduced:	SN2O5H16C18 (1)
Stoich.:	AB2C5D16E18 (1)
Weight, g/mol:	424.209718
ΔH_f, kcal/mol:	-160.72
Dipole, Da:	9.98
IP(EA), eV:	-8.85(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R,5S)-2-acetyloxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-5-phenylmethoxypentyl] acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N)C(=O)NC2=C3C(=C(C=C2)S(=O)(=O)O)C=CC=C3O

DOS

IR

Vibrations