Geometry & MOs

Info

ID:	246872
PubChem CID:	103065252
Reduced:	BrSN4C9H13 (1)
Stoich.:	ABC4D9E13 (1)
Weight, g/mol:	244.054945
ΔH_f, kcal/mol:	30.28
Dipole, Da:	2.25
IP(EA), eV:	-8.74(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-N-methyl-4-N-(thiolan-3-yl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CNC1=NC=C(C(=N1)NC2CCSC2)Br

DOS

IR

Vibrations