Geometry & MOs

Info

ID:

219828

PubChem CID:

85164938

Reduced:

NO9C33H49 (1)

Stoich.:

AB9C33D49 (1)

Weight, g/mol:

603.363199

ΔHf, kcal/mol:

-363.73

Dipole, Da:

3.24

IP(EA), eV:

 -10.12(-1.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[3-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-2-oxo-4-phenylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCC1C(OC(O1)(C)C)CCC(C2CCC(O2)C3CCC(=O)O3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations