Geometry & MOs

Info

ID:	382413
PubChem CID:	134973552
Reduced:	NO3H11C18 (1)
Stoich.:	AB3C11D18 (1)
Weight, g/mol:	446.212465
ΔH_f, kcal/mol:	-0.58
Dipole, Da:	2.0
IP(EA), eV:	-9.28(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3S,4S,6R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4'-methoxy-3'-phenylmethoxyspiro[7-oxabicyclo[4.1.0]heptane-3,5'-furan]-2'-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(/C(=C(\C#N)/C3=CC=CC=C3)/OC2=O)O

DOS

IR

Vibrations