Geometry & MOs

Info

ID:	141967
PubChem CID:	52959549
Reduced:	SO3N4C18H18 (1)
Stoich.:	AB3C4D18E18 (1)
Weight, g/mol:	359.243359
ΔH_f, kcal/mol:	30.8
Dipole, Da:	2.36
IP(EA), eV:	-9.35(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-amino-6-(2,3-dimethylanilino)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COCCCN=C1/C(=N/S(=O)(=O)C2=CC=CC=C2)/N=C3C=CC=CC3=N1

DOS

IR

Vibrations