Geometry & MOs

Info

ID:	170096
PubChem CID:	75196197
Reduced:	ClN2S2O3C23H23 (1)
Stoich.:	AB2C2D3E23F23 (1)
Weight, g/mol:	445.0161
ΔH_f, kcal/mol:	-71.28
Dipole, Da:	5.72
IP(EA), eV:	-8.1(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-bromophenyl)-2-hydroxyiminoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate

Drug info:

PubChemData

Smile

CC[N+]1=C(C=CC2=C1C=CC(=C2)C)C=C3N(C4=C(S3)C=CC(=C4)Cl)CCCS(=O)(=O)[O-]

DOS

IR

Vibrations