Geometry & MOs

Info

ID:	66539
PubChem CID:	46504759
Reduced:	BrClFSN2O4H17C19 (1)
Stoich.:	ABCDE2F4G17H19 (1)
Weight, g/mol:	534.00719
ΔH_f, kcal/mol:	-172.33
Dipole, Da:	11.31
IP(EA), eV:	-8.87(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]-N-[4-(trifluoromethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)NC3=C(C=C(C=C3)F)Cl)Br

DOS

IR

Vibrations