Geometry & MOs

Info

ID:

432627

PubChem CID:

135172763

Reduced:

N3O4H29C31 (1)

Stoich.:

A3B4C29D31 (1)

Weight, g/mol:

897.526322

ΔHf, kcal/mol:

-42.68

Dipole, Da:

6.77

IP(EA), eV:

 -8.84(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[[(2R,3R)-3-[(2S,4S)-4-fluoro-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[methyl(phenylmethoxycarbonyl)amino]butanoyl]amino]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

C1CN(CCC1C(CC2C3=CC=CC=C3C4=CN=CN24)O)C(=O)COC5=CC6=C(C=C5)OC7=CC=CC=C76

DOS

IR

Vibrations