Geometry & MOs

Info

ID:	344939
PubChem CID:	127268699
Reduced:	NSO6C13H17 (1)
Stoich.:	ABC6D13E17 (1)
Weight, g/mol:	374.130028
ΔH_f, kcal/mol:	-210.06
Dipole, Da:	5.67
IP(EA), eV:	-9.18(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-4-phenyl-1,4-diazepane

Drug info:

PubChemData

Smile

C1COC(CO1)CNS(=O)(=O)C2=CC=CC3=C2OCCO3

DOS

IR

Vibrations