Geometry & MOs

Info

ID:	137134
PubChem CID:	52156743
Reduced:	N3O5C24H25 (1)
Stoich.:	A3B5C24D25 (1)
Weight, g/mol:	435.179421
ΔH_f, kcal/mol:	-100.93
Dipole, Da:	19.52
IP(EA), eV:	-8.35(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

C1CC[NH+](C1)CCN2[C@H](C(=C(C3=CC4=C(C=C3)OCCO4)[O-])C(=O)C2=O)C5=CC=NC=C5

DOS

IR

Vibrations