Geometry & MOs

Info

ID:

315955

PubChem CID:

126629484

Reduced:

N2O7C35H42 (1)

Stoich.:

A2B7C35D42 (1)

Weight, g/mol:

684.302236

ΔHf, kcal/mol:

-242.8

Dipole, Da:

3.21

IP(EA), eV:

 -9.32(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-methoxy-2-[[(7S,8R,9S)-9-methyl-2-oxo-7-(3-phenylpropyl)-8-[[4-(trifluoromethoxy)phenyl]methyl]oxonan-3-yl]carbamoyl]pyridin-3-yl] 2-methylpropanoate

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]([C@H](CCCC(C(=O)O1)NC(=O)C2=NC=CC(=C2OCOC(=O)C(C)C)OC)CC3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations