Geometry & MOs

Info

ID:	245062
PubChem CID:	99437354
Reduced:	OSN6H18C19 (1)
Stoich.:	ABC6D18E19 (1)
Weight, g/mol:	397.120861
ΔH_f, kcal/mol:	71.62
Dipole, Da:	4.15
IP(EA), eV:	-8.85(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-(2-pyrazin-2-ylimidazol-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3C=CN=C3C4=NC=CN=C4

DOS

IR

Vibrations