Geometry & MOs

Info

ID:	60253
PubChem CID:	26676010
Reduced:	ClSN2O5H17C21 (1)
Stoich.:	ABC2D5E17F21 (1)
Weight, g/mol:	454.038165
ΔH_f, kcal/mol:	-55.26
Dipole, Da:	5.36
IP(EA), eV:	-8.65(-0.98)
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-(4-methoxyphenyl)benzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N(CC2=NOC(=C2)C3=CC=CO3)S(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations