Geometry & MOs

Info

ID:	367501
PubChem CID:	127324833
Reduced:	SO3N4C15H22 (1)
Stoich.:	AB3C4D15E22 (1)
Weight, g/mol:	318.103814
ΔH_f, kcal/mol:	-112.05
Dipole, Da:	4.79
IP(EA), eV:	-7.91(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxothian-3-yl)-3-naphthalen-1-ylurea

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC=C(C=C2)NC(=O)NC3CCCS(=O)(=O)C3

DOS

IR

Vibrations