Geometry & MOs

Info

ID:	146724
PubChem CID:	53737239
Reduced:	S4O5N9H19C20 (1)
Stoich.:	A4B5C9D19E20 (1)
Weight, g/mol:	62.066972
ΔH_f, kcal/mol:	68.68
Dipole, Da:	8.17
IP(EA), eV:	-8.96(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1,3-tetradeuteriopropan-2-one

Drug info:

PubChemData

Smile

C#CCN1C(=NN=N1)SCC2=C(N3[C@H](C(C3=O)NC(=O)C(=NOC4CSC4)C5=CSC(=N5)N)SC2)C(=O)O

DOS

IR

Vibrations