Geometry & MOs

Info

ID:	372598
PubChem CID:	131300541
Reduced:	NSF2O3C9H17 (1)
Stoich.:	ABC2D3E9F17 (1)
Weight, g/mol:	203.026566
ΔH_f, kcal/mol:	-258.14
Dipole, Da:	3.59
IP(EA), eV:	-9.55(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(pyrimidin-5-ylamino)-1,2-thiazole-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C(C1CCCN(C1)S(=O)(=O)C)O)(F)F

DOS

IR

Vibrations