Geometry & MOs

Info

ID:	25361
PubChem CID:	623599
Reduced:	ClN6H11C12 (1)
Stoich.:	AB6C11D12 (1)
Weight, g/mol:	273.989151
ΔH_f, kcal/mol:	82.64
Dipole, Da:	3.72
IP(EA), eV:	-8.6(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[chloro(difluoro)methyl]-5-imino-3-methyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C3=NC(=NC(=C3C=N2)N)N)Cl

DOS

IR

Vibrations