Geometry & MOs

Info

ID:	354326
PubChem CID:	127286452
Reduced:	SN3O3C18H25 (1)
Stoich.:	AB3C3D18E25 (1)
Weight, g/mol:	337.109627
ΔH_f, kcal/mol:	-113.58
Dipole, Da:	4.41
IP(EA), eV:	-8.7(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-5-oxo-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN2CCN(CC2C1)C(=O)NC3CCS(=O)(=O)C4=CC=CC=C34

DOS

IR

Vibrations