Geometry & MOs

Info

ID:	134929
PubChem CID:	51784569
Reduced:	ClN2O3C23H29 (1)
Stoich.:	AB2C3D23E29 (1)
Weight, g/mol:	416.18667
ΔH_f, kcal/mol:	-121.51
Dipole, Da:	7.24
IP(EA), eV:	-9.15(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(tert-butylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-(2-chlorophenyl)-3-methylbutanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H](C1=CC(=CC=C1)O)N(C2=CC=CC=C2Cl)C(=O)CC(C)C

DOS

IR

Vibrations