Geometry & MOs

Info

ID:	186379
PubChem CID:	77425946
Reduced:	SO2N3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	409.193632
ΔH_f, kcal/mol:	-4.85
Dipole, Da:	2.98
IP(EA), eV:	-9.04(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-pyrazolidin-4-yl-2,3-dihydrothiophene-3-carbonyl)-6-pyridin-2-yl-3,4,4a,5,7,7a-hexahydro-2H-cyclopenta[b]pyridine-6-carbonitrile

Drug info:

PubChemData

Smile

CCCC(C(C)C(=C)C1=CC2=C(C=C1)N=C(O2)C3=CC(=CS3)C)C(=O)NN

DOS

IR

Vibrations