Geometry & MOs

Info

ID:

222904

PubChem CID:

85333011

Reduced:

F2N5O6C30H33 (1)

Stoich.:

A2B5C6D30E33 (1)

Weight, g/mol:

597.279863

ΔHf, kcal/mol:

-282.94

Dipole, Da:

14.32

IP(EA), eV:

 -8.59(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]butanedioic acid

Drug info:

PubChemData

Smile

CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)C3CN(CC3CN)C4=C(C=C5C(=C4)N(CC(C5=O)C(=O)O)C6CC6)F)F

DOS

IR

Vibrations