Geometry & MOs

Info

ID:

436074

PubChem CID:

135193691

Reduced:

PO2C31H49 (1)

Stoich.:

AB2C31D49 (1)

Weight, g/mol:

1035.625621

ΔHf, kcal/mol:

-143.63

Dipole, Da:

2.58

IP(EA), eV:

 -7.86(0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ditert-butyl (2S)-2-[[(2S)-6-[4-[[8-[[(2S,5Z,7Z)-1-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-methylidene-1-oxonona-5,7-dien-2-yl]amino]-8-oxooctoxy]methyl]triazol-1-yl]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C(C)(C)C)C(C)(C)C)OC)CO)C(C)C

DOS

IR

Vibrations