Geometry & MOs

Info

ID:	44912
PubChem CID:	10506494
Reduced:	N4O6H23C27 (1)
Stoich.:	A4B6C23D27 (1)
Weight, g/mol:	535.212375
ΔH_f, kcal/mol:	-116.5
Dipole, Da:	10.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.418914
Charge, e:	0

Chem-info

IUPAC name:

(5S)-1-(2-diethoxyphosphorylacetyl)-5-(trityloxymethyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC6=C(C=C5N=C4C3=C2)OCCO6)C[N+]7=CC=CC=N7)O

DOS

IR

Vibrations