Geometry & MOs

Info

ID:	361325
PubChem CID:	127302520
Reduced:	SN4O4C15H24 (1)
Stoich.:	AB4C4D15E24 (1)
Weight, g/mol:	363.125277
ΔH_f, kcal/mol:	-151.05
Dipole, Da:	5.7
IP(EA), eV:	-9.32(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-1-methyl-4-oxo-N-propylcinnoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)NC3CCS(=O)(=O)C3)C

DOS

IR

Vibrations