Geometry & MOs

Info

ID:	130586
PubChem CID:	51091386
Reduced:	N3O4H15C18 (1)
Stoich.:	A3B4C15D18 (1)
Weight, g/mol:	343.092538
ΔH_f, kcal/mol:	10.46
Dipole, Da:	8.0
IP(EA), eV:	-9.4(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-5-pyrrolidin-1-yl-1,3,4-thiadiazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCOC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations