Geometry & MOs

Info

ID:	133021
PubChem CID:	51463008
Reduced:	NO6C26H28 (1)
Stoich.:	AB6C26D28 (1)
Weight, g/mol:	480.202227
ΔH_f, kcal/mol:	-156.73
Dipole, Da:	6.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.774123
Charge, e:	-1

Chem-info

IUPAC name:

2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-1-(2-methoxyethyl)-4,5-dioxo-2-(3-pentoxyphenyl)pyrrolidin-3-ylidene]methanolate

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)[C@@H]2C(=C(C3=CC4=C(C=C3)OCCO4)[O-])C(=O)C(=O)N2CCCOC

DOS

IR

Vibrations