Geometry & MOs

Info

ID:	66531
PubChem CID:	46504746
Reduced:	BrSN2F3O4H18C20 (1)
Stoich.:	ABC2D3E4F18G20 (1)
Weight, g/mol:	513.99648
ΔH_f, kcal/mol:	-299.71
Dipole, Da:	7.19
IP(EA), eV:	-8.95(-0.81)
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-(5-chloro-2-methoxyphenyl)propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations