Geometry & MOs

Info

ID:	210737
PubChem CID:	80849506
Reduced:	SN4C15H28 (1)
Stoich.:	AB4C15D28 (1)
Weight, g/mol:	244.099397
ΔH_f, kcal/mol:	-5.11
Dipole, Da:	5.39
IP(EA), eV:	-8.37(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2-methyl-2-methylsulfonylpropyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCC(CC)N(CC(C)C)C1=NC(=NC(=C1)NC)SC

DOS

IR

Vibrations