Geometry & MOs

Info

ID:

178808

PubChem CID:

76385075

Reduced:

N5O9C40H45 (1)

Stoich.:

A5B9C40D45 (1)

Weight, g/mol:

356.12936

ΔHf, kcal/mol:

-275.13

Dipole, Da:

8.56

IP(EA), eV:

 -7.97(-1.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2,2-dimethyl-4-(phenylmethoxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl] methanesulfonate

Drug info:

PubChemData

Smile

CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(C(C(=N4)C(=C5C(=C(C(=N5)C=C1N2)C)C(=O)OC)CC(=O)NC(CC(=O)O)C(=O)O)CCC(=O)OC)C)C)C=C)C

DOS

IR

Vibrations