Geometry & MOs

Info

ID:	402627
PubChem CID:	135056633
Reduced:	NOSC10H15 (1)
Stoich.:	ABCD10E15 (1)
Weight, g/mol:	254.043522
ΔH_f, kcal/mol:	2.55
Dipole, Da:	1.9
IP(EA), eV:	-8.89(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S)-2-methyl-1-oxo-1,3-dithian-2-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CN(C)CCOC(=C)C1=CSC=C1

DOS

IR

Vibrations