Geometry & MOs

Info

ID:

168255

PubChem CID:

74940598

Reduced:

N2O7H8C14 (1)

Stoich.:

A2B7C8D14 (1)

Weight, g/mol:

1089.53239

ΔHf, kcal/mol:

-126.57

Dipole, Da:

13.69

IP(EA), eV:

 -9.75(-3.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 2-[[2-[[1-[2-[[2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]acetyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoate

Drug info:

PubChemData

Smile

C1C2=C(C(=CC(=C2)C(=O)[O-])C=C3C(=O)NC(=O)N=C3[O-])OCO1

DOS

IR

Vibrations