Geometry & MOs

Info

ID:	159703
PubChem CID:	57288645
Reduced:	O2N3C24H39 (1)
Stoich.:	A2B3C24D39 (1)
Weight, g/mol:	412.148616
ΔH_f, kcal/mol:	-114.04
Dipole, Da:	3.32
IP(EA), eV:	-8.96(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R,5R)-3,3-difluoro-5-(1-hydroxy-2,2,2-triphenylethyl)oxolane-2,4-diol

Drug info:

PubChemData

Smile

CCCNC(=O)NCC1CC[C@@H]2[C@@]1(CC[C@@H]3[C@H]2CCN4[C@@]3(C=CC(=O)C4C)C)C

DOS

IR

Vibrations