Geometry & MOs

Info

ID:	211053
PubChem CID:	80888871
Reduced:	BrSN3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	317.01975
ΔH_f, kcal/mol:	45.35
Dipole, Da:	3.54
IP(EA), eV:	-8.87(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-ethyl-4-(oxan-4-ylsulfanyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCCNC1=NC(=CC(=N1)SC2=CC(=CC=C2)Br)C

DOS

IR

Vibrations