Geometry & MOs

Info

ID:

79919

PubChem CID:

49831357

Reduced:

NOH10C12 (2)

Stoich.:

ABC10D12 (2)

Weight, g/mol:

614.262816

ΔHf, kcal/mol:

19.62

Dipole, Da:

4.11

IP(EA), eV:

 -8.43(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(R)-(3,5-dimethoxy-4-phenylmethoxyphenyl)-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-2-oxo-1H-quinoline-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=CC(=N2)NC3=CC=CC=C3C(=O)C4=CC=CC=C4)OC

DOS

IR

Vibrations