Geometry & MOs

Info

ID:	81828
PubChem CID:	49855219
Reduced:	N2O3C26H30 (1)
Stoich.:	A2B3C26D30 (1)
Weight, g/mol:	416.183503
ΔH_f, kcal/mol:	-41.8
Dipole, Da:	4.89
IP(EA), eV:	-8.41(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6S)-3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan

Drug info:

PubChemData

Smile

C1C[C@]2([C@H]3CC4=C5C2(CCN3CC6CC6)[C@H]([C@H]1NC7=CC=CC=C7)OC5=C(C=C4)O)O

DOS

IR

Vibrations