Geometry & MOs

Info

ID:	60230
PubChem CID:	26675952
Reduced:	FN2O3H17C22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	454.038165
ΔH_f, kcal/mol:	-15.2
Dipole, Da:	2.93
IP(EA), eV:	-8.51(-0.86)
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-(2-methoxyphenyl)benzenesulfonamide

Drug info:

PubChemData

Smile

COC1=C(C2=CC=CC=C2C=C1)/C=N\OCC3=NC=C(O3)C4=CC=C(C=C4)F

DOS

IR

Vibrations