Geometry & MOs

Info

ID:

163862

PubChem CID:

74380564

Reduced:

NO10C29H51 (1)

Stoich.:

AB10C29D51 (1)

Weight, g/mol:

1136.589981

ΔHf, kcal/mol:

-483.74

Dipole, Da:

3.94

IP(EA), eV:

 -9.78(0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[6-amino-2-(pyrrolidine-2-carbonylamino)hexanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-4-(carboxymethylamino)-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1C(OC(CC1=C)(C(C(=O)NC2C3C(C(C(C(O3)CC(CCCCCCO)O)(C)C)OC)OCO2)O)OC)C

DOS

IR

Vibrations