Geometry & MOs

Info

ID:	170321
PubChem CID:	75216472
Reduced:	NO2S2C18H21 (1)
Stoich.:	AB2C2D18E21 (1)
Weight, g/mol:	444.157288
ΔH_f, kcal/mol:	-50.46
Dipole, Da:	4.63
IP(EA), eV:	-8.77(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5-oxo-3-phenylmethoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl)-phenylmethyl] benzoate

Drug info:

PubChemData

Smile

C1CCC(CC1)CCOC2=CC=C(C=C2)C=C3C(=S)NC(=O)S3

DOS

IR

Vibrations