Geometry & MOs

Info

ID:	330461
PubChem CID:	127247868
Reduced:	SN3O4C13H25 (1)
Stoich.:	AB3C4D13E25 (1)
Weight, g/mol:	326.141262
ΔH_f, kcal/mol:	-181.17
Dipole, Da:	5.05
IP(EA), eV:	-8.81(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-methylpyridin-3-yl)methyl]-4-methylsulfonyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCN(CC(C1)C(=O)N)CC2CCOCC2

DOS

IR

Vibrations