Geometry & MOs

Info

ID:	170642
PubChem CID:	75262982
Reduced:	OSN7C20H23 (1)
Stoich.:	ABC7D20E23 (1)
Weight, g/mol:	369.071802
ΔH_f, kcal/mol:	85.93
Dipole, Da:	8.18
IP(EA), eV:	-8.76(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-oxo-5-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Drug info:

PubChemData

Smile

CCCN1C(=NN=C1SCC2=CC(=O)N3C(N2)C(CN3)C#N)C4=CC=CC(=C4)C

DOS

IR

Vibrations