Geometry & MOs

Info

ID:	401827
PubChem CID:	135052814
Reduced:	BrSN2O4C15H21 (1)
Stoich.:	ABC2D4E15F21 (1)
Weight, g/mol:	256.092302
ΔH_f, kcal/mol:	-111.52
Dipole, Da:	7.91
IP(EA), eV:	-7.89(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

lithium;(Z)-1-ethoxy-4-(4-methoxyphenyl)-1,4-dioxobut-2-en-2-olate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=N/NC1=CC=C(C=C1)OC)/C(=O)CS(C)(C)Br

DOS

IR

Vibrations