Geometry & MOs

Info

ID:	132885
PubChem CID:	51439976
Reduced:	OCl2N8C19H20 (1)
Stoich.:	AB2C8D19E20 (1)
Weight, g/mol:	491.233468
ΔH_f, kcal/mol:	67.37
Dipole, Da:	11.05
IP(EA), eV:	-8.26(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[(2R)-2-(4-tert-butylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene]-(4-methylphenyl)methanolate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NC(=NCCC2=C[NH+]=CN2)N=C(NC3=CC(=C(C=C3)Cl)Cl)[O-])C

DOS

IR

Vibrations