Geometry & MOs

Info

ID:	442692
PubChem CID:	135255819
Reduced:	NS3Cl7H18C20 (1)
Stoich.:	AB3C7D18E20 (1)
Weight, g/mol:	283.153206
ΔH_f, kcal/mol:	14.62
Dipole, Da:	0.52
IP(EA), eV:	-9.07(-2.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-2-[3-(diaminomethylideneamino)propyl]-3,6-dioxohept-4-enoate

Drug info:

PubChemData

Smile

CS(C1=CC=C(C=C1)N(C2=CC=C(C=C2)S(C)(Cl)Cl)C3=CC=C(C=C3)S(Cl)(Cl)Cl)(Cl)Cl

DOS

IR

Vibrations