Geometry & MOs

Info

ID:	366086
PubChem CID:	127319419
Reduced:	SO3N5C13H17 (1)
Stoich.:	AB3C5D13E17 (1)
Weight, g/mol:	363.150429
ΔH_f, kcal/mol:	-60.9
Dipole, Da:	10.44
IP(EA), eV:	-10.25(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=NC(=NN12)C(=O)NC3CCCS(=O)(=O)C3)C

DOS

IR

Vibrations