Geometry & MOs

Info

ID:	138708
PubChem CID:	52413441
Reduced:	OSN4C23H27 (1)
Stoich.:	ABC4D23E27 (1)
Weight, g/mol:	402.161329
ΔH_f, kcal/mol:	55.73
Dipole, Da:	3.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.147117
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide

Drug info:

PubChemData

Smile

C1C[NH+](CCC1NC(=O)NCC2=NC(=CS2)C3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations