Geometry & MOs

Info

ID:	369061
PubChem CID:	127331193
Reduced:	SO2N3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	292.124549
ΔH_f, kcal/mol:	-84.1
Dipole, Da:	5.41
IP(EA), eV:	-8.54(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1-benzothiophen-3-yl)-2-methyl-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CC2CCN(CC2)C(=O)NC3CSC4=CC=CC=C34

DOS

IR

Vibrations