Geometry & MOs

Info

ID:	314958
PubChem CID:	126624014
Reduced:	ClFN2S2O3C22H22 (1)
Stoich.:	ABC2D2E3F22G22 (1)
Weight, g/mol:	278.96434
ΔH_f, kcal/mol:	-111.15
Dipole, Da:	2.5
IP(EA), eV:	-8.65(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-3-cyanoindazol-1-yl)acetic acid

Drug info:

PubChemData

Smile

C1CC[C@H](N(CC1)S(=O)(=O)CCl)C(=O)NC2=CC=CC(=C2F)C3=CSC4=CC=CC=C43

DOS

IR

Vibrations