Geometry & MOs

Info

ID:

185966

PubChem CID:

77373963

Reduced:

N3O9C47H83 (1)

Stoich.:

A3B9C47D83 (1)

Weight, g/mol:

599.11548

ΔHf, kcal/mol:

-526.89

Dipole, Da:

5.01

IP(EA), eV:

 -9.81(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[2-[(2-bromophenyl)methoxy]-4-hydroxyphenyl]acetyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCOC(=O)N(CCCCCCCCCCCC)C1C(C(C(C(O1)CO)O)O)NC(=O)C(CC(C)C)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations