Geometry & MOs

Info

ID:	31304
PubChem CID:	855549
Reduced:	ClSN2O2C12H13 (1)
Stoich.:	ABC2D2E12F13 (1)
Weight, g/mol:	267.115381
ΔH_f, kcal/mol:	-64.6
Dipole, Da:	5.54
IP(EA), eV:	-9.04(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC(C)OC(=O)CSC1=NC2=C(N1)C=C(C=C2)Cl

DOS

IR

Vibrations