Geometry & MOs

Info

ID:

134658

PubChem CID:

51735441

Reduced:

Cl2N3O5H23C25 (1)

Stoich.:

A2B3C5D23E25 (1)

Weight, g/mol:

516.217971

ΔHf, kcal/mol:

-100.13

Dipole, Da:

4.47

IP(EA), eV:

 -9.67(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-N-[(1R)-1-(4-hydroxyphenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-3-phenylprop-2-ynamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)[C@@H](C1=CC=C(C=C1)Cl)N(C2=CC(=CC=C2)Cl)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])O

DOS

IR

Vibrations