Geometry & MOs

Info

ID:

222974

PubChem CID:

85333602

Reduced:

F2O8N9C36H37 (1)

Stoich.:

A2B8C9D36E37 (1)

Weight, g/mol:

763.426862

ΔHf, kcal/mol:

-283.66

Dipole, Da:

13.01

IP(EA), eV:

 -8.79(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-[5-amino-2-[[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C(=NC(=N)N5CCN(CC5)C6=C(C=C7C8=C6OCC(N8C=C(C7=O)C(=O)O)C)F)N)F)C(=O)O

DOS

IR

Vibrations