Geometry & MOs

Info

ID:	36553
PubChem CID:	8008521
Reduced:	FN2O2C15H19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	408.174573
ΔH_f, kcal/mol:	-112.56
Dipole, Da:	1.85
IP(EA), eV:	-9.77(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]-[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NCC=C)NC(=O)C1=CC=C(C=C1)F

DOS

IR

Vibrations