Geometry & MOs

Info

ID:	183443
PubChem CID:	77021773
Reduced:	SO2N3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	279.104148
ΔH_f, kcal/mol:	-21.3
Dipole, Da:	6.16
IP(EA), eV:	-8.5(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylthiolane-2-carboxamide

Drug info:

PubChemData

Smile

CN(C1=CC=CC(=C1)C(=NO)N)C(=O)C2CCSC2

DOS

IR

Vibrations