Geometry & MOs

Info

ID:	232821
PubChem CID:	87577129
Reduced:	ClS3O5N8C17H17 (1)
Stoich.:	AB3C5D8E17F17 (1)
Weight, g/mol:	104.08877
ΔH_f, kcal/mol:	-24.46
Dipole, Da:	7.57
IP(EA), eV:	-8.7(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4,5-trideuterio-2-(deuteriomethoxy)-4,5-dihydroimidazole

Drug info:

PubChemData

Smile

CNC1=NN=C(S1)SC2=C(N3C(CC2)C(C3=O)NC(=O)/C(=N\O)/C4=C(SC(=N4)N)Cl)C(=O)OC

DOS

IR

Vibrations