Geometry & MOs

Info

ID:	13489
PubChem CID:	237426
Reduced:	SN5H7C10 (1)
Stoich.:	AB5C7D10 (1)
Weight, g/mol:	229.042216
ΔH_f, kcal/mol:	131.13
Dipole, Da:	4.46
IP(EA), eV:	-8.96(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-phenyl-[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC2=NC=NC3=NSN=C32

DOS

IR

Vibrations