Geometry & MOs

Info

ID:	211041
PubChem CID:	80888049
Reduced:	SN5C9H17 (1)
Stoich.:	AB5C9D17 (1)
Weight, g/mol:	302.100146
ΔH_f, kcal/mol:	26.01
Dipole, Da:	3.31
IP(EA), eV:	-8.82(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-4-(1H-indol-2-ylsulfanyl)-N-propylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC(C)SC1=NC(=NC(=N1)N(C)C)N

DOS

IR

Vibrations