Geometry & MOs

Info

ID:	322106
PubChem CID:	126668661
Reduced:	ClSO5N6C22H23 (1)
Stoich.:	ABC5D6E22F23 (1)
Weight, g/mol:	225.100108
ΔH_f, kcal/mol:	-35.17
Dipole, Da:	6.76
IP(EA), eV:	-8.67(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-hydroxy-9-oxa-2-azatetracyclo[5.3.0.01,3.08,10]decane-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2C3=CC(=C(O3)C4=NNN=N4)OCCN5CCOCC5)Cl

DOS

IR

Vibrations