Geometry & MOs

Info

ID:	54533
PubChem CID:	17388844
Reduced:	ClNSC19H20 (1)
Stoich.:	ABCD19E20 (1)
Weight, g/mol:	417.147075
ΔH_f, kcal/mol:	36.6
Dipole, Da:	6.17
IP(EA), eV:	-8.38(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[(4-methylphenyl)sulfonylamino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethyl N-phenylcarbamate

Drug info:

PubChemData

Smile

C1CN(CCC1CC2=CC=CC=C2)C(=S)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations