Geometry & MOs

Info

ID:	135208
PubChem CID:	51834442
Reduced:	ClN2O2C21H31 (1)
Stoich.:	AB2C2D21E31 (1)
Weight, g/mol:	408.254356
ΔH_f, kcal/mol:	-117.29
Dipole, Da:	5.71
IP(EA), eV:	-9.35(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-N-[(1S)-1-(4-chlorophenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]propanamide

Drug info:

PubChemData

Smile

CCC(=O)N([C@H](C1=CC=C(C=C1)Cl)C(=O)NC2CCCCC2)C(C)(C)C

DOS

IR

Vibrations