Geometry & MOs

Info

ID:	168239
PubChem CID:	74939745
Reduced:	BrO3N4H19C22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	464.170927
ΔH_f, kcal/mol:	7.72
Dipole, Da:	7.45
IP(EA), eV:	-8.91(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[2-(4-methoxycarbonylphenyl)-1-(3-methoxypropyl)-4,5-dioxopyrrolidin-3-ylidene]-(4-prop-2-enoxyphenyl)methanolate

Drug info:

PubChemData

Smile

CC1=C(C(=O)NN1)C(=C2C(=NNC2=O)C)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Br

DOS

IR

Vibrations