Geometry & MOs

Info

ID:	217598
PubChem CID:	85088082
Reduced:	ClSN6O6C10H13 (1)
Stoich.:	ABC6D6E10F13 (1)
Weight, g/mol:	380.09871
ΔH_f, kcal/mol:	-159.33
Dipole, Da:	3.71
IP(EA), eV:	-9.32(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-acetyl-5-bromo-3-phenylnon-4-enoate

Drug info:

PubChemData

Smile

C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)CS(=O)(=O)ON)O)O)Cl)N

DOS

IR

Vibrations