Geometry & MOs

Info

ID:	357842
PubChem CID:	127294685
Reduced:	S2O3N4C13H26 (1)
Stoich.:	A2B3C4D13E26 (1)
Weight, g/mol:	378.175933
ΔH_f, kcal/mol:	-132.8
Dipole, Da:	7.07
IP(EA), eV:	-8.41(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-propan-2-yl-N-(2-thiomorpholin-4-ylsulfonylethyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCCN(CC1)C(=O)NCCS(=O)(=O)N2CCSCC2

DOS

IR

Vibrations