Geometry & MOs

Info

ID:	437475
PubChem CID:	135226400
Reduced:	F2O5N7C30H31 (1)
Stoich.:	A2B5C7D30E31 (1)
Weight, g/mol:	254.036128
ΔH_f, kcal/mol:	-135.33
Dipole, Da:	9.56
IP(EA), eV:	-9.38(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-acetylindazol-1-yl)methanesulfonic acid

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CC(=C(N=C2)C(=O)OC)CF)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=NC=C5)F)CCOC

DOS

IR

Vibrations