Geometry & MOs

Info

ID:	138188
PubChem CID:	52326616
Reduced:	ClNSO4C20H22 (1)
Stoich.:	ABCD4E20F22 (1)
Weight, g/mol:	333.196688
ΔH_f, kcal/mol:	-150.81
Dipole, Da:	1.96
IP(EA), eV:	-9.39(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[(2S)-1-(naphthalene-2-carbonylamino)-3-phenylpropan-2-yl]azanium

Drug info:

PubChemData

Smile

CC(C)OC(=O)C[C@H](C1=CC=CC=C1Cl)NC(=O)CCC(=O)C2=CC=CS2

DOS

IR

Vibrations