Geometry & MOs

Info

ID:	345322
PubChem CID:	127269598
Reduced:	SN3O3C19H27 (1)
Stoich.:	AB3C3D19E27 (1)
Weight, g/mol:	340.091535
ΔH_f, kcal/mol:	-106.58
Dipole, Da:	3.56
IP(EA), eV:	-8.36(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-1,4-thiazepane-4-carboxamide

Drug info:

PubChemData

Smile

CSC1=CC2=C(C=C1NC(=O)N3CCCC(C3)N4CCCC4)OCCO2

DOS

IR

Vibrations