Geometry & MOs

Info

ID:

160671

PubChem CID:

57389392

Reduced:

O42C87H140 (1)

Stoich.:

A42B87C140 (1)

Weight, g/mol:

463.214092

ΔHf, kcal/mol:

-1944.69

Dipole, Da:

9.02

IP(EA), eV:

 -9.54(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-2-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(C(CC(C3O)OC4COC(C(C4O)O)OC(=O)C56CCC7(C(=CCC8C7(CCC9C8(CCC(C9(C)C)OC1C(C(C(C(O1)CO)OC1C(C(C(C(O1)CO)O)OC1C(C(C(CO1)O)O)O)O)O)O)C)C)C5CC(C(C6)OC(=O)/C(=C/CCC(C)(C=C)OC1C(C(C(C(O1)C)O)O)O)/CO)(C)C)C)CO)O)CO)O)O)O

DOS

IR

Vibrations