Geometry & MOs

Info

ID:	3857
PubChem CID:	10311
Reduced:	AsOS2N6C12H15 (1)
Stoich.:	ABC2D6E12F15 (1)
Weight, g/mol:	397.996471
ΔH_f, kcal/mol:	26.62
Dipole, Da:	3.65
IP(EA), eV:	-8.77(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol

Drug info:

PubChemData

Smile

C1C(S[As](S1)C2=CC=C(C=C2)NC3=NC(=NC(=N3)N)N)CO

DOS

IR

Vibrations