Geometry & MOs

Info

ID:	364629
PubChem CID:	127315924
Reduced:	N2O3C23H24 (1)
Stoich.:	A2B3C23D24 (1)
Weight, g/mol:	263.098
ΔH_f, kcal/mol:	-64.39
Dipole, Da:	2.16
IP(EA), eV:	-8.77(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1-benzofuran-3-yl(1,4-thiazepan-4-yl)methanone

Drug info:

PubChemData

Smile

CN1CCC2(CC1)CC(C3=CC=CC=C3O2)NC(=O)C4=COC5=CC=CC=C54

DOS

IR

Vibrations