Geometry & MOs

Info

ID:

221672

PubChem CID:

85285870

Reduced:

NPO16C17H30 (1)

Stoich.:

ABC16D17E30 (1)

Weight, g/mol:

579.22168

ΔHf, kcal/mol:

-779.1

Dipole, Da:

2.85

IP(EA), eV:

 -10.4(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-(3,5-dihydroxy-4-methoxyphenyl)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]acetyl]amino]-2-phenylacetic acid

Drug info:

PubChemData

Smile

CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OP(=O)(O)OCC2C(C(C(O2)OC)O)O)O

DOS

IR

Vibrations