Geometry & MOs

Info

ID:	390375
PubChem CID:	134998783
Reduced:	ClSH7N7C14 (2)
Stoich.:	ABC7D7E14 (2)
Weight, g/mol:	166.09938
ΔH_f, kcal/mol:	395.28
Dipole, Da:	2.84
IP(EA), eV:	-9.36(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,6R)-bicyclo[4.1.0]hept-3-ene-7-carboxylate

Drug info:

PubChemData

Smile

[C-]#[N+]C1=C(N(N=C1C2=CC=C(C=C2)Cl)C3=NN=NC4C3SC5=C4C6=C(S5)C(=NN=N6)N7C(=C(C(=N7)C8=CC=C(C=C8)Cl)C#N)N)N

DOS

IR

Vibrations