Geometry & MOs

Info

ID:	243496
PubChem CID:	99224367
Reduced:	BrSN2O3C15H21 (1)
Stoich.:	ABC2D3E15F21 (1)
Weight, g/mol:	392.02055
ΔH_f, kcal/mol:	-125.74
Dipole, Da:	4.65
IP(EA), eV:	-9.61(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-cyclopentylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)N[C@H](C)C(=O)NC2CCCC2)Br

DOS

IR

Vibrations