Geometry & MOs

Info

ID:	369135
PubChem CID:	127331367
Reduced:	SN4O4C18H24 (1)
Stoich.:	AB4C4D18E24 (1)
Weight, g/mol:	315.158292
ΔH_f, kcal/mol:	-122.42
Dipole, Da:	8.15
IP(EA), eV:	-9.16(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-N-(oxan-4-ylmethyl)-4-oxocinnoline-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2C(=O)C(=N1)C(=O)NCC3CCN(CC3)S(=O)(=O)C

DOS

IR

Vibrations