Geometry & MOs

Info

ID:	211412
PubChem CID:	80945330
Reduced:	ClSO2N3C12H18 (1)
Stoich.:	ABC2D3E12F18 (1)
Weight, g/mol:	344.97021
ΔH_f, kcal/mol:	-85.25
Dipole, Da:	6.25
IP(EA), eV:	-9.38(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromothiophen-2-yl)methyl]-6-chloro-2-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=N1)Cl)NC2CCCS(=O)(=O)C2

DOS

IR

Vibrations