Geometry & MOs

Info

ID:	79794
PubChem CID:	49830421
Reduced:	SO3N7H29C33 (1)
Stoich.:	AB3C7D29E33 (1)
Weight, g/mol:	316.099397
ΔH_f, kcal/mol:	61.55
Dipole, Da:	6.75
IP(EA), eV:	-8.29(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-amino-1H-indazol-5-yl)phenyl]ethanesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C3=C(N4C=CSC4=N3)C5=NC(=NC=C5)NC6=CC=C(C=C6)N7CCOCC7

DOS

IR

Vibrations