Geometry & MOs

Info

ID:	211038
PubChem CID:	80887620
Reduced:	OSN5C14H23 (1)
Stoich.:	ABC5D14E23 (1)
Weight, g/mol:	337.02483
ΔH_f, kcal/mol:	-16.23
Dipole, Da:	3.98
IP(EA), eV:	-8.81(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-bromophenyl)sulfanyl-N,5-diethylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)SC2CCCC2)N3CCOCC3

DOS

IR

Vibrations