Geometry & MOs

Info

ID:

388878

PubChem CID:

134990508

Reduced:

ClNO3C22H26 (1)

Stoich.:

ABC3D22E26 (1)

Weight, g/mol:

908.44324

ΔHf, kcal/mol:

-118.24

Dipole, Da:

10.87

IP(EA), eV:

 -9.31(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCCCCCCCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)Cl

DOS

IR

Vibrations