Geometry & MOs

Info

ID:	148315
PubChem CID:	53787977
Reduced:	O5C21H32 (1)
Stoich.:	A5B21C32 (1)
Weight, g/mol:	314.06376
ΔH_f, kcal/mol:	-226.88
Dipole, Da:	7.01
IP(EA), eV:	-9.88(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-pyridin-2-yl 5-amino-1-(4-fluorophenyl)pyrazole-4-carbothioate

Drug info:

PubChemData

Smile

CCC=CCC(CC=C[C@H]1CCC(=O)[C@@H]1CC=CCCC(C(=O)O)O)O

DOS

IR

Vibrations