Geometry & MOs

Info

ID:	134041
PubChem CID:	51629393
Reduced:	ON4C18H23 (1)
Stoich.:	AB4C18D23 (1)
Weight, g/mol:	345.113171
ΔH_f, kcal/mol:	36.28
Dipole, Da:	5.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.975862
Charge, e:	0

Chem-info

IUPAC name:

(4-methylphenyl)methyl (3R)-3-acetamido-3-(4-chlorophenyl)propanoate

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1CC2=CC=CC=C2)CC(=O)NC3=CC=NC=C3

DOS

IR

Vibrations