Geometry & MOs

Info

ID:	405187
PubChem CID:	135072925
Reduced:	O7C29H36 (1)
Stoich.:	A7B29C36 (1)
Weight, g/mol:	353.129694
ΔH_f, kcal/mol:	-197.24
Dipole, Da:	9.06
IP(EA), eV:	-9.17(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (6S,7R)-6-methoxy-3-(4-methylphenyl)sulfonyl-3-azabicyclo[4.1.0]heptane-7-carboxylate

Drug info:

PubChemData

Smile

C/C=C/C12C(C3CC(O1)(C4(C25C3(C(=O)C4O)OC(O5)(C)C)C)OCC6=CC=CC=C6)(CCC(=C)C)O

DOS

IR

Vibrations