Geometry & MOs

Info

ID:	330549
PubChem CID:	127247956
Reduced:	S2O3N4C12H20 (1)
Stoich.:	A2B3C4D12E20 (1)
Weight, g/mol:	339.161663
ΔH_f, kcal/mol:	-94.88
Dipole, Da:	6.13
IP(EA), eV:	-9.03(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[(4-methylphenyl)methyl]-4-methylsulfonyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1CN(CCN(C1)S(=O)(=O)C)CC2=CN=CS2

DOS

IR

Vibrations