Geometry & MOs

Info

ID:

137106

PubChem CID:

52152691

Reduced:

N3O5C25H33 (1)

Stoich.:

A3B5C25D33 (1)

Weight, g/mol:

469.257671

ΔHf, kcal/mol:

-160.53

Dipole, Da:

8.49

IP(EA), eV:

 -8.24(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-1-[2-(dimethylazaniumyl)ethyl]-2-(3-methoxy-4-propoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene]-(2,4,5-trimethyl-1H-pyrrol-3-yl)methanolate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)[C@H]2C(=C(C3=C(NC(=C3C)C)C)O)C(=O)C(=O)N2CCN(C)C)OC

DOS

IR

Vibrations