Geometry & MOs

Info

ID:

168843

PubChem CID:

75026711

Reduced:

O2N3C28H35 (1)

Stoich.:

A2B3C28D35 (1)

Weight, g/mol:

701.320683

ΔHf, kcal/mol:

-56.66

Dipole, Da:

2.88

IP(EA), eV:

 -9.38(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[1-(3-acetamido-2-hydroxy-4-phenylbutanoyl)pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)C=C(C2=CC=CC=C2)C(=O)NC3CCN(CC3)C(=O)CCC4=CN=CC=C4

DOS

IR

Vibrations