Geometry & MOs

Info

ID:	183441
PubChem CID:	77021759
Reduced:	NS2O3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	253.088498
ΔH_f, kcal/mol:	-90.38
Dipole, Da:	6.93
IP(EA), eV:	-9.07(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methyl-2-methylsulfanylacetamide

Drug info:

PubChemData

Smile

CN(CC1=CSC(=C1)C=CC(=O)O)C(=O)CSC

DOS

IR

Vibrations