Geometry & MOs

Info

ID:

219041

PubChem CID:

85090401

Reduced:

S2N4O6C25H26 (1)

Stoich.:

A2B4C6D25E26 (1)

Weight, g/mol:

542.266839

ΔHf, kcal/mol:

-155.2

Dipole, Da:

3.06

IP(EA), eV:

 -8.91(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2-dimethyl-2'-(5-phenylpent-1-enyl)-7'-[(4-phenylphenyl)methoxy]spiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1)C3CN(C(=O)O3)CCCNS(=O)(=O)C4=CC5=C(C=C4)SCCC(=O)N5

DOS

IR

Vibrations