Geometry & MOs

Info

ID:

175943

PubChem CID:

75971121

Reduced:

NOC10H12 (2)

Stoich.:

ABC10D12 (2)

Weight, g/mol:

1094.616454

ΔHf, kcal/mol:

-44.34

Dipole, Da:

5.49

IP(EA), eV:

 -9.12(0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[1-[15-benzyl-2,8,14,17,20-pentaoxo-3,18-di(propan-2-yl)-1,4,7,13,16,19-hexazatricyclo[19.3.0.09,13]tetracos-5-ene-6-carbonyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

COC(=O)C(C1CCCCN1CC2=CC=NC=C2)C3=CC=CC=C3

DOS

IR

Vibrations