Geometry & MOs

Info

ID:	252216
PubChem CID:	103109834
Reduced:	ON4C12H14 (1)
Stoich.:	AB4C12D14 (1)
Weight, g/mol:	282.103814
ΔH_f, kcal/mol:	15.51
Dipole, Da:	6.54
IP(EA), eV:	-8.6(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-amino-2-methylphenyl)methyl]-1,1-dioxothiolane-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N)CNC(=O)C2=CNN=C2

DOS

IR

Vibrations