Geometry & MOs

Info

ID:	224433
PubChem CID:	85342840
Reduced:	SN2O5H22C24 (1)
Stoich.:	AB2C5D22E24 (1)
Weight, g/mol:	450.204239
ΔH_f, kcal/mol:	-110.01
Dipole, Da:	2.79
IP(EA), eV:	-9.07(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-but-2-ynoxy-5-[2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SC3C(C(C(C(O3)CO)O)O)O)C4=CC=CC=C4

DOS

IR

Vibrations