Geometry & MOs

Info

ID:	366707
PubChem CID:	127320236
Reduced:	ON5C18H23 (1)
Stoich.:	AB5C18D23 (1)
Weight, g/mol:	310.1021
ΔH_f, kcal/mol:	49.0
Dipole, Da:	2.88
IP(EA), eV:	-8.78(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)azepane-1-sulfonamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2(CCCC2)NCCC3=NC4=CC=CC=C4N3C

DOS

IR

Vibrations