Geometry & MOs

Info

ID:	204054
PubChem CID:	79905299
Reduced:	ClSN2O3C13H13 (1)
Stoich.:	ABC2D3E13F13 (1)
Weight, g/mol:	280.135782
ΔH_f, kcal/mol:	-79.46
Dipole, Da:	4.6
IP(EA), eV:	-8.93(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-oxaspiro[4.5]decan-9-ylsulfanyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1S(=O)(=O)N)N)OC2=CC(=CC=C2)Cl

DOS

IR

Vibrations