Geometry & MOs

Info

ID:	340445
PubChem CID:	127262456
Reduced:	SCl2N2O3C9H16 (1)
Stoich.:	AB2C2D3E9F16 (1)
Weight, g/mol:	285.98407
ΔH_f, kcal/mol:	-197.78
Dipole, Da:	2.63
IP(EA), eV:	-9.02(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(E)-2-bromoethenyl]-4,6-dihydroxybenzoate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1N)C)S(=O)(=O)O)C)N.Cl.Cl

DOS

IR

Vibrations