Geometry & MOs

Info

ID:	330460
PubChem CID:	127247867
Reduced:	S2O3N4C11H18 (1)
Stoich.:	A2B3C4D11E18 (1)
Weight, g/mol:	319.156577
ΔH_f, kcal/mol:	-86.76
Dipole, Da:	6.78
IP(EA), eV:	-8.98(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylsulfonyl-4-(oxan-4-ylmethyl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCN(CC(C1)C(=O)N)CC2=CSC=N2

DOS

IR

Vibrations