Geometry & MOs

Info

ID:	407800
PubChem CID:	135080555
Reduced:	OC5H8 (3)
Stoich.:	AB5C8 (3)
Weight, g/mol:	247.985155
ΔH_f, kcal/mol:	-129.93
Dipole, Da:	1.37
IP(EA), eV:	-9.69(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@]1(C[C@H](CC(C1=C=CC(C)(C=C)O)(C)C)O)O

DOS

IR

Vibrations