Geometry & MOs

Info

ID:	164972
PubChem CID:	74479776
Reduced:	ClSN3O4H20C21 (1)
Stoich.:	ABC3D4E20F21 (1)
Weight, g/mol:	458.08412
ΔH_f, kcal/mol:	-106.47
Dipole, Da:	3.49
IP(EA), eV:	-8.8(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-bromophenyl)-1-[2-(dimethylazaniumyl)ethyl]-4,5-dioxopyrrolidin-3-ylidene]-(3-methoxyphenyl)methanolate

Drug info:

PubChemData

Smile

C1C(C2C(NC(NC2=O)SCC3=CC(=CC=C3)Cl)NC1=O)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations