Geometry & MOs

Info

ID:	247935
PubChem CID:	103077634
Reduced:	BrClFSN3O4C9H10 (1)
Stoich.:	ABCDE3F4G9H10 (1)
Weight, g/mol:	399.96593
ΔH_f, kcal/mol:	-193.18
Dipole, Da:	5.59
IP(EA), eV:	-9.32(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=C1Cl)Br)N)F)S(=O)(=O)NCCOC(=O)N

DOS

IR

Vibrations