Geometry & MOs

Info

ID:	67759
PubChem CID:	46507111
Reduced:	FN2S2O3H21C25 (1)
Stoich.:	AB2C2D3E21F25 (1)
Weight, g/mol:	520.112664
ΔH_f, kcal/mol:	-96.04
Dipole, Da:	6.81
IP(EA), eV:	-8.45(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-amino-4-(benzenesulfonyl)-5-(2-ethyl-6-methylanilino)thiophen-2-yl]-(1,3-benzodioxol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)C2=C(SC(=C2N)C(=O)C3=CC=CC=C3)NC4=CC=CC=C4F)C

DOS

IR

Vibrations