Geometry & MOs

Info

ID:	439882
PubChem CID:	135229738
Reduced:	NO2H43C69 (1)
Stoich.:	AB2C43D69 (1)
Weight, g/mol:	348.93819
ΔH_f, kcal/mol:	230.74
Dipole, Da:	0.47
IP(EA), eV:	-8.2(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-iodo-N-phenylpyrazole-4-sulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC=C2N(C3=CC=C(C=C3)C4=CC5=C(C=C4)OC6=CC=CC=C65)C7=CC=CC(=C7)C8=CC9=C(C=C8)C1=CC=CC=C1C91C2=C(C3=CC=CC=C3C=C2)OC2=C1C=CC1=CC=CC=C12

DOS

IR

Vibrations