Geometry & MOs

Info

ID:	314097
PubChem CID:	126620395
Reduced:	ClSN3O3C14H14 (1)
Stoich.:	ABC3D3E14F14 (1)
Weight, g/mol:	264.056863
ΔH_f, kcal/mol:	-46.39
Dipole, Da:	4.87
IP(EA), eV:	-9.19(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methoxy-5-phenyl-1H-pyrazol-3-yl)sulfanyl]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC=C(O2)C3NC(NN3)SCC(=O)O)Cl

DOS

IR

Vibrations