Geometry & MOs

Info

ID:	173547
PubChem CID:	75651893
Reduced:	SN2O5H17C22 (1)
Stoich.:	AB2C5D17E22 (1)
Weight, g/mol:	509.156005
ΔH_f, kcal/mol:	-10.7
Dipole, Da:	1.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.774523
Charge, e:	-1

Chem-info

IUPAC name:

(3,4-dimethoxyphenyl)-[1-(5-methyl-1,2-oxazol-3-yl)-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene]methanolate

Drug info:

PubChemData

Smile

CC1=CC(=NO1)N2C(C(=C(C2=O)[O-])C(=O)C3=CC=CS3)C4=CC(=CC=C4)OCC=C

DOS

IR

Vibrations