Geometry & MOs

Info

ID:	341022
PubChem CID:	127263457
Reduced:	ClSN2O2C16H19 (1)
Stoich.:	ABC2D2E16F19 (1)
Weight, g/mol:	329.00112
ΔH_f, kcal/mol:	-85.63
Dipole, Da:	2.56
IP(EA), eV:	-8.5(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2Z)-2-[(5-bromo-2-nitrophenyl)hydrazinylidene]propanoate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C2=C(S1)CN(CC2)CC3=CC=CC=C3)N.Cl

DOS

IR

Vibrations