Geometry & MOs

Info

ID:	243483
PubChem CID:	99224307
Reduced:	BrFSN2O3C19H22 (1)
Stoich.:	ABCD2E3F19G22 (1)
Weight, g/mol:	456.05185
ΔH_f, kcal/mol:	-159.48
Dipole, Da:	3.01
IP(EA), eV:	-9.07(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-4-fluorophenyl)sulfonyl-[(1S)-1-(4-propylphenyl)ethyl]amino]acetamide

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)[C@@H](C)N(CC(=O)N)S(=O)(=O)C2=C(C=C(C=C2)F)Br

DOS

IR

Vibrations