Geometry & MOs

Info

ID:	357878
PubChem CID:	127295378
Reduced:	ClSO2N3C19H28 (1)
Stoich.:	ABC2D3E19F28 (1)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-84.74
Dipole, Da:	3.48
IP(EA), eV:	-9.35(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)CC(=O)NCC3=CC=C(S3)Cl

DOS

IR

Vibrations