Geometry & MOs

Info

ID:	222368
PubChem CID:	85297280
Reduced:	N2O3H24C26 (1)
Stoich.:	A2B3C24D26 (1)
Weight, g/mol:	412.170831
ΔH_f, kcal/mol:	-15.05
Dipole, Da:	3.74
IP(EA), eV:	-9.19(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-6-phenylmethoxy-5-(3-phenylsulfanylbut-3-enyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC2C3C(C(=O)N(C3=O)C4=CC=CC=C4)ON2CC5=CC=CC=C5

DOS

IR

Vibrations