Geometry & MOs

Info

ID:	84314
PubChem CID:	49865690
Reduced:	NSO5C16H31 (1)
Stoich.:	ABC5D16E31 (1)
Weight, g/mol:	314.115424
ΔH_f, kcal/mol:	-275.15
Dipole, Da:	6.41
IP(EA), eV:	-10.21(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4R,9bR)-4-methoxy-7-phenyl-3a,4,5,7,8,9b-hexahydro-1H-furo[3,2-f]chromene-2,9-dione

Drug info:

PubChemData

Smile

CCCCCCCCS(=O)(=O)N[C@@H]1CCC[C@@H]([C@H]1O)CC(=O)O

DOS

IR

Vibrations