Geometry & MOs

Info

ID:	375308
PubChem CID:	131499901
Reduced:	OSF4H4C10 (1)
Stoich.:	ABC4D4E10 (1)
Weight, g/mol:	226.088832
ΔH_f, kcal/mol:	-192.89
Dipole, Da:	2.94
IP(EA), eV:	-9.55(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(6-methyl-2-methylsulfanylpyrimidin-4-yl)propanamide

Drug info:

PubChemData

Smile

C1=CSC2=C(C(=C(C=C21)C=O)F)C(F)(F)F

DOS

IR

Vibrations