Geometry & MOs

Info

ID:	163801
PubChem CID:	74380476
Reduced:	SF3O6C25H27 (1)
Stoich.:	AB3C6D25E27 (1)
Weight, g/mol:	296.104003
ΔH_f, kcal/mol:	-362.49
Dipole, Da:	1.86
IP(EA), eV:	-9.18(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-chloro-4-(diaminomethylidenehydrazinylidene)-4-phenylbutanoate

Drug info:

PubChemData

Smile

CCCCC(=C1CC(OC1CC2=CC=CC=C2)COC(=O)C3=CC=CC=C3)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations