Geometry & MOs

Info

ID:	366199
PubChem CID:	127319614
Reduced:	SO3N5C18H25 (1)
Stoich.:	AB3C5D18E25 (1)
Weight, g/mol:	307.124215
ΔH_f, kcal/mol:	-85.58
Dipole, Da:	9.82
IP(EA), eV:	-9.42(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2C(=C(C(=N2)C)CC(=O)NC3CCCS(=O)(=O)C3)C)C

DOS

IR

Vibrations