Geometry & MOs

Info

ID:	440130
PubChem CID:	135230030
Reduced:	Cl2N2O4C15H20 (1)
Stoich.:	A2B2C4D15E20 (1)
Weight, g/mol:	462.180916
ΔH_f, kcal/mol:	-199.04
Dipole, Da:	5.97
IP(EA), eV:	-9.72(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-2-[4-chloro-3-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxan-4-ol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCOC1=CC(=C(C(=C1)Cl)C(=O)N)Cl

DOS

IR

Vibrations