Geometry & MOs

Info

ID:	330464
PubChem CID:	127247871
Reduced:	S2N3O4C12H17 (1)
Stoich.:	A2B3C4D12E17 (1)
Weight, g/mol:	332.151826
ΔH_f, kcal/mol:	-137.35
Dipole, Da:	5.75
IP(EA), eV:	-9.45(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylsulfonyl-4-(2-pyrrolidin-1-ylacetyl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCN(CC(C1)C(=O)N)C(=O)C2=CSC=C2

DOS

IR

Vibrations