Geometry & MOs

Info

ID:	237188
PubChem CID:	92717795
Reduced:	ClNS2O3C14H16 (1)
Stoich.:	ABC2D3E14F16 (1)
Weight, g/mol:	431.07322
ΔH_f, kcal/mol:	-71.26
Dipole, Da:	4.21
IP(EA), eV:	-8.88(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-(4-bromophenyl)acetate

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=C(C=C1)OC)NS(=O)(=O)C2=CC=C(S2)Cl

DOS

IR

Vibrations