Geometry & MOs

Info

ID:	323261
PubChem CID:	126673870
Reduced:	N2H22C31 (1)
Stoich.:	A2B22C31 (1)
Weight, g/mol:	408.133966
ΔH_f, kcal/mol:	147.05
Dipole, Da:	2.0
IP(EA), eV:	-8.06(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R,5R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol

Drug info:

PubChemData

Smile

C1C=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)C6=CC=CC=C6N5)C7=CC=CC=C72

DOS

IR

Vibrations