Geometry & MOs

Info

ID:	390745
PubChem CID:	135000688
Reduced:	O2N5H19C22 (1)
Stoich.:	A2B5C19D22 (1)
Weight, g/mol:	252.099774
ΔH_f, kcal/mol:	36.51
Dipole, Da:	3.96
IP(EA), eV:	-9.75(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl (5S)-3-hydroxy-5-phenyldioxolane-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(CC(=O)NC(=O)C2=CC=CC=C2)N3C=NC4=CN=CN=C43

DOS

IR

Vibrations