Geometry & MOs

Info

ID:

169345

PubChem CID:

75090412

Reduced:

NO2C18H22 (2)

Stoich.:

AB2C18D22 (2)

Weight, g/mol:

1106.566149

ΔHf, kcal/mol:

-98.35

Dipole, Da:

5.23

IP(EA), eV:

 -9.09(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(CO)N(CC2=CC=CC=C2)CC(C(CN(CC3=CC=CC=C3)C(CC4=CC=CC=C4)CO)O)O

DOS

IR

Vibrations