Geometry & MOs

Info

ID:	357709
PubChem CID:	127294383
Reduced:	SN3O3C20H25 (1)
Stoich.:	AB3C3D20E25 (1)
Weight, g/mol:	387.161663
ΔH_f, kcal/mol:	-69.52
Dipole, Da:	3.93
IP(EA), eV:	-8.35(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(azepan-1-yl)pyridin-4-yl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)C2=NC=CC(=C2)CNS(=O)(=O)C3=CC4=C(COC4)C=C3

DOS

IR

Vibrations