Geometry & MOs

Info

ID:	184711
PubChem CID:	77195629
Reduced:	NF3O6C27H36 (1)
Stoich.:	AB3C6D27E36 (1)
Weight, g/mol:	530.119769
ΔH_f, kcal/mol:	-401.48
Dipole, Da:	6.21
IP(EA), eV:	-9.3(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butylphenyl)sulfonyl-N-[2-(2,6-dichlorophenyl)ethyl]-2,3-dihydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1)C(CNCCCCCCOCCOCC2=CC=C(C=C2)C(F)(F)F)O)CO

DOS

IR

Vibrations