Geometry & MOs

Info

ID:	13499
PubChem CID:	238735
Reduced:	SCl2N3H9C11 (1)
Stoich.:	AB2C3D9E11 (1)
Weight, g/mol:	284.989424
ΔH_f, kcal/mol:	42.92
Dipole, Da:	2.43
IP(EA), eV:	-9.02(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,4-dichlorophenyl)methylsulfanyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)CSC2=NC(=NC=C2)N

DOS

IR

Vibrations