Geometry & MOs

Info

ID:	134989
PubChem CID:	51794639
Reduced:	ClN2O3C24H29 (1)
Stoich.:	AB2C3D24E29 (1)
Weight, g/mol:	502.22345
ΔH_f, kcal/mol:	-110.54
Dipole, Da:	6.64
IP(EA), eV:	-8.84(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-3-methyl-N-[(1S)-2-oxo-1-(2,4,6-trihydroxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]but-2-enamide

Drug info:

PubChemData

Smile

CC(=CC(=O)N(C1=CC(=CC=C1)Cl)[C@H](C2=CC(=CC=C2)OC)C(=O)NC(C)(C)C)C

DOS

IR

Vibrations