Geometry & MOs

Info

ID:	54525
PubChem CID:	17388819
Reduced:	N2O7H8C15 (1)
Stoich.:	A2B7C8D15 (1)
Weight, g/mol:	353.129694
ΔH_f, kcal/mol:	-148.26
Dipole, Da:	3.68
IP(EA), eV:	-9.89(-2.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(2-acetyloxyacetyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])O)C(=O)O

DOS

IR

Vibrations