Geometry & MOs

Info

ID:	246873
PubChem CID:	103065254
Reduced:	ClSN4C9H13 (1)
Stoich.:	ABC4D9E13 (1)
Weight, g/mol:	254.120132
ΔH_f, kcal/mol:	23.4
Dipole, Da:	2.04
IP(EA), eV:	-8.77(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methoxymethyl)-6-N-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations