Geometry & MOs

Info

ID:

148389

PubChem CID:

53788051

Reduced:

N2O5C21H30 (1)

Stoich.:

A2B5C21D30 (1)

Weight, g/mol:

676.347215

ΔHf, kcal/mol:

-219.57

Dipole, Da:

1.96

IP(EA), eV:

 -9.77(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl (2S)-2-[[1,2-dihydroxy-2-(1H-pyrrol-2-yl)ethyl]-[(2R)-4-methyl-1-[[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

COCOC1C(CCN1C(=O)OCC2=CC=CC=C2)NC(=O)C3CCCCC3

DOS

IR

Vibrations