Geometry & MOs

Info

ID:	366257
PubChem CID:	127319714
Reduced:	ClNSO3C18H24 (1)
Stoich.:	ABCD3E18F24 (1)
Weight, g/mol:	311.119129
ΔH_f, kcal/mol:	-148.91
Dipole, Da:	4.3
IP(EA), eV:	-9.49(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-2-phenylmethoxypropanamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(C2=CC(=CC=C2)Cl)C(=O)NC3CCCS(=O)(=O)C3

DOS

IR

Vibrations