Geometry & MOs

Info

ID:	60226
PubChem CID:	26675940
Reduced:	SN2Cl3O3H13C17 (1)
Stoich.:	AB2C3D3E13F17 (1)
Weight, g/mol:	362.01195
ΔH_f, kcal/mol:	-53.09
Dipole, Da:	4.17
IP(EA), eV:	-9.46(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dichloro-N-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CN(CC1=NC=C(O1)C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations