Geometry & MOs

Info

ID:	60176
PubChem CID:	26675836
Reduced:	ClN2S2O4H17C21 (1)
Stoich.:	AB2C2D4E17F21 (1)
Weight, g/mol:	392.072531
ΔH_f, kcal/mol:	-43.21
Dipole, Da:	6.19
IP(EA), eV:	-8.55(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-N-(4-methoxyphenyl)thiophene-2-sulfonamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N(CC2=NC=C(O2)C3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CS4

DOS

IR

Vibrations