Geometry & MOs

Info

ID:	211072
PubChem CID:	80893851
Reduced:	SN2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	281.079825
ΔH_f, kcal/mol:	52.67
Dipole, Da:	3.92
IP(EA), eV:	-8.73(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,4-difluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCNC1=CC(=NC(=N1)C)SC2=NC(=CS2)C

DOS

IR

Vibrations