Geometry & MOs

Info

ID:	68476
PubChem CID:	46508495
Reduced:	ClFSN3O4C20H23 (1)
Stoich.:	ABCD3E4F20G23 (1)
Weight, g/mol:	429.172228
ΔH_f, kcal/mol:	-179.3
Dipole, Da:	6.86
IP(EA), eV:	-9.2(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydroindol-1-yl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]ethanone

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)NCC(=O)NC3=C(C=C(C=C3)F)Cl

DOS

IR

Vibrations