Geometry & MOs

Info

ID:

425647

PubChem CID:

135127120

Reduced:

N8O11C39H60 (1)

Stoich.:

A8B11C39D60 (1)

Weight, g/mol:

366.117549

ΔHf, kcal/mol:

-494.27

Dipole, Da:

5.98

IP(EA), eV:

 -9.19(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-3-[5-[[2-(2-amino-2-carboxyethyl)-1,3-oxazol-5-yl]oxy]-4-oxo-1H-pyridin-2-yl]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CCC(CC(C)CC(=O)ON1C(=O)CCC1=O)CC(=O)NC(C(C)C)C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC2=CC=C(C=C2)COC(=O)N(C)[C@@H](C(C)C)C(=O)N

DOS

IR

Vibrations