Geometry & MOs

Info

ID:	290776
PubChem CID:	110713058
Reduced:	NSO2C18H19 (1)
Stoich.:	ABC2D18E19 (1)
Weight, g/mol:	297.103479
ΔH_f, kcal/mol:	-40.79
Dipole, Da:	2.24
IP(EA), eV:	-8.44(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,1-dioxothiolan-3-yl)ethyl]-4-methoxybenzamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CCC(=O)N2CCSC3=CC=CC=C32

DOS

IR

Vibrations