Geometry & MOs

Info

ID:	35278
PubChem CID:	7979615
Reduced:	SN3O4C15H21 (1)
Stoich.:	AB3C4D15E21 (1)
Weight, g/mol:	345.027824
ΔH_f, kcal/mol:	-79.97
Dipole, Da:	4.11
IP(EA), eV:	-8.3(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-[(E)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-2-methoxy-6-nitrophenolate

Drug info:

PubChemData

Smile

COC1=CC(=CNNC(=S)NC[C@@H]2CCCO2)C=C(C1=O)OC

DOS

IR

Vibrations