Geometry & MOs

Info

ID:	134949
PubChem CID:	51788239
Reduced:	ClN3O5C24H26 (1)
Stoich.:	AB3C5D24E26 (1)
Weight, g/mol:	536.244185
ΔH_f, kcal/mol:	-105.27
Dipole, Da:	6.73
IP(EA), eV:	-9.85(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-2,6-dihydroxy-N-[(2S,3S)-1-oxo-3-phenyl-1-(2,4,4-trimethylpentan-2-ylamino)butan-2-yl]benzamide

Drug info:

PubChemData

Smile

C/C=C/[C@H](C(=O)NC1CCCCC1)N(C2=CC=CC=C2Cl)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])O

DOS

IR

Vibrations