Geometry & MOs

Info

ID:

187751

PubChem CID:

77619038

Reduced:

N2O2C16H23 (2)

Stoich.:

A2B2C16D23 (2)

Weight, g/mol:

594.301762

ΔHf, kcal/mol:

-176.46

Dipole, Da:

2.79

IP(EA), eV:

 -9.1(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N-[4-[(2-amino-2-oxo-1-phenylethyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2CCCCC2)C(CNCC3=CC=CC=C3)O)C(=O)N

DOS

IR

Vibrations