Geometry & MOs

Info

ID:	27691
PubChem CID:	823108
Reduced:	NSC4H5 (2)
Stoich.:	ABC4D5 (2)
Weight, g/mol:	295.07391
ΔH_f, kcal/mol:	37.58
Dipole, Da:	5.74
IP(EA), eV:	-9.05(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=C(C(=S)NC(=S)N1)CC=C

DOS

IR

Vibrations