Geometry & MOs

Info

ID:	171699
PubChem CID:	75414140
Reduced:	OSN2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	445.119523
ΔH_f, kcal/mol:	8.52
Dipole, Da:	5.01
IP(EA), eV:	-8.43(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=S)NCC2CC2

DOS

IR

Vibrations