Geometry & MOs

Info

ID:	134659
PubChem CID:	51735488
Reduced:	ClN2O3C31H33 (1)
Stoich.:	AB2C3D31E33 (1)
Weight, g/mol:	516.217971
ΔH_f, kcal/mol:	-40.01
Dipole, Da:	4.67
IP(EA), eV:	-9.05(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)NC(=O)[C@@H](C1=CC=C(C=C1)O)N(C2=CC(=CC=C2)Cl)C(=O)C#CC3=CC=CC=C3

DOS

IR

Vibrations