Geometry & MOs

Info

ID:	396058
PubChem CID:	135027325
Reduced:	SN2O2C18H30 (1)
Stoich.:	AB2C2D18E30 (1)
Weight, g/mol:	383.01765
ΔH_f, kcal/mol:	-94.09
Dipole, Da:	6.89
IP(EA), eV:	-8.53(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(4S)-4,6-dichloro-5-naphthalen-1-yl-4-phenylsulfanylpyrimidin-3-ide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](CN2CCCCC2)C(C)(C)C

DOS

IR

Vibrations