Geometry & MOs

Info

ID:	349497
PubChem CID:	127275284
Reduced:	SN2O2C5H9 (2)
Stoich.:	AB2C2D5E9 (2)
Weight, g/mol:	381.099457
ΔH_f, kcal/mol:	-110.46
Dipole, Da:	5.09
IP(EA), eV:	-9.76(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)S(=O)(=O)NCCS(=O)(=O)NC2CC2

DOS

IR

Vibrations