Geometry & MOs

Info

ID:	345655
PubChem CID:	127269955
Reduced:	SO3N4C15H20 (1)
Stoich.:	AB3C4D15E20 (1)
Weight, g/mol:	273.139865
ΔH_f, kcal/mol:	-70.9
Dipole, Da:	2.94
IP(EA), eV:	-9.46(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methyl-1,1-dioxothiolan-3-yl)cycloheptanecarboxamide

Drug info:

PubChemData

Smile

CCCN(C1CCS(=O)(=O)C1)C(=O)C2=CN3C(=NN=C3C=C2)C

DOS

IR

Vibrations