Geometry & MOs

Info

ID:	297562
PubChem CID:	117621881
Reduced:	ISCl2O3N4C21H21 (1)
Stoich.:	ABC2D3E4F21G21 (1)
Weight, g/mol:	362.01874
ΔH_f, kcal/mol:	-25.43
Dipole, Da:	7.55
IP(EA), eV:	-8.39(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-[(4-bromophenyl)methyl]-2-methyl-2-methylsulfonylpentanoic acid

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C(=O)NN2CCS(CC2)(O)O)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)I

DOS

IR

Vibrations