Geometry & MOs

Info

ID:	66530
PubChem CID:	46504744
Reduced:	BrSN3O4C25H30 (1)
Stoich.:	ABC3D4E25F30 (1)
Weight, g/mol:	518.01228
ΔH_f, kcal/mol:	-129.03
Dipole, Da:	9.25
IP(EA), eV:	-8.91(-0.9)
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-(trifluoromethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)NC3CCN(CC3)CC4=CC=CC=C4)Br

DOS

IR

Vibrations