Geometry & MOs

Info

ID:	135209
PubChem CID:	51834443
Reduced:	ClN2O2C23H37 (1)
Stoich.:	AB2C2D23E37 (1)
Weight, g/mol:	408.254356
ΔH_f, kcal/mol:	-140.47
Dipole, Da:	3.26
IP(EA), eV:	-9.37(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-N-[(1R)-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)NC(C)(C)CC(C)(C)C)C(C)(C)C

DOS

IR

Vibrations