Geometry & MOs

Info

ID:	133022
PubChem CID:	51463009
Reduced:	NO7C27H30 (1)
Stoich.:	AB7C27D30 (1)
Weight, g/mol:	500.170927
ΔH_f, kcal/mol:	-184.33
Dipole, Da:	5.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.784499
Charge, e:	-1

Chem-info

IUPAC name:

2,3-dihydro-1,4-benzodioxin-6-yl-[(2S)-2-(3,4-dimethoxyphenyl)-4,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-ylidene]methanolate

Drug info:

PubChemData

Smile

CCCCCOC1=CC=CC(=C1)[C@@H]2C(=C(C3=CC4=C(C=C3)OCCO4)[O-])C(=O)C(=O)N2CCOC

DOS

IR

Vibrations