Geometry & MOs

Info

ID:	396803
PubChem CID:	135029242
Reduced:	NO2H11C15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	421.155909
ΔH_f, kcal/mol:	4.98
Dipole, Da:	3.95
IP(EA), eV:	-9.79(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,2S,6S,7R,8R,9E)-9-ethylidene-2-hydroxy-11-(4-methylphenyl)sulfonyl-3-oxa-11-azatricyclo[6.3.1.02,6]dodecane-7-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/2\[C@H](C3=C(C2=O)N=CC=C3)O

DOS

IR

Vibrations