Geometry & MOs

Info

ID:	281377
PubChem CID:	103913782
Reduced:	NSC12H19 (1)
Stoich.:	ABC12D19 (1)
Weight, g/mol:	283.124215
ΔH_f, kcal/mol:	8.15
Dipole, Da:	1.04
IP(EA), eV:	-8.53(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-methoxyphenyl)ethyl]-1,1-dioxothian-3-amine

Drug info:

PubChemData

Smile

CCSCCN[C@H](C)C1=CC=CC=C1

DOS

IR

Vibrations