Geometry & MOs

Info

ID:	210593
PubChem CID:	80828580
Reduced:	OSN6C9H12 (1)
Stoich.:	ABC6D9E12 (1)
Weight, g/mol:	266.058595
ΔH_f, kcal/mol:	37.66
Dipole, Da:	1.42
IP(EA), eV:	-9.58(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

COC1=NC(=NC(=N1)NCCC2=NC=CS2)N

DOS

IR

Vibrations