Geometry & MOs

Info

ID:

134756

PubChem CID:

51752441

Reduced:

ClN3O3C30H38 (1)

Stoich.:

AB3C3D30E38 (1)

Weight, g/mol:

523.26017

ΔHf, kcal/mol:

-89.43

Dipole, Da:

4.25

IP(EA), eV:

 -8.14(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-chloro-N-[(1S)-1-[4-(dimethylamino)phenyl]-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-N-(furan-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)NC(=O)[C@@H](C1=CC=C(C=C1)N(C)C)N(CC2=CC=CO2)C(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations