Geometry & MOs

Info

ID:	188158
PubChem CID:	77675671
Reduced:	N2O5H14C15 (1)
Stoich.:	A2B5C14D15 (1)
Weight, g/mol:	414.101621
ΔH_f, kcal/mol:	-156.1
Dipole, Da:	5.27
IP(EA), eV:	-9.88(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-chloro-5-nitro-8-oxo-11-thia-1-azatetracyclo[8.7.0.02,7.012,17]heptadec-9-ene-9-carboxylate

Drug info:

PubChemData

Smile

CN1C2C(C=C(O2)C(=O)OCC3=CC=CC=C3)C(=O)NC1=O

DOS

IR

Vibrations