Geometry & MOs

Info

ID:

222056

PubChem CID:

85293682

Reduced:

NSiO5C29H39 (1)

Stoich.:

ABC5D29E39 (1)

Weight, g/mol:

510.203587

ΔHf, kcal/mol:

-222.78

Dipole, Da:

2.54

IP(EA), eV:

 -9.04(0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

S-[2-oxo-2-(propylamino)ethyl] 2-[(7-acetamido-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl)oxy]propanethioate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1C(N(C(C1OC=O)CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)CC=C

DOS

IR

Vibrations