Geometry & MOs

Info

ID:	379860
PubChem CID:	134958981
Reduced:	ClSiN5C11H14 (1)
Stoich.:	ABC5D11E14 (1)
Weight, g/mol:	431.173273
ΔH_f, kcal/mol:	40.03
Dipole, Da:	5.25
IP(EA), eV:	-9.34(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(1S,2R,4R,5S)-2-cyano-4-ethenyl-5-formyl-2-phenylmethoxycarbonylcyclopentyl]benzoate

Drug info:

PubChemData

Smile

C[Si](C)(C)C1=CN=C(N=C1Cl)NC2=NC=NC=C2

DOS

IR

Vibrations