Geometry & MOs

Info

ID:	153685
PubChem CID:	56312977
Reduced:	S2O3N4C19H22 (1)
Stoich.:	A2B3C4D19E22 (1)
Weight, g/mol:	453.115855
ΔH_f, kcal/mol:	-46.04
Dipole, Da:	4.98
IP(EA), eV:	-8.3(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)NC3=CN(N=C3)C(C)(C)C

DOS

IR

Vibrations