Geometry & MOs

Info

ID:	37540
PubChem CID:	8022034
Reduced:	SO2N5H19C21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	405.02119
ΔH_f, kcal/mol:	61.43
Dipole, Da:	5.94
IP(EA), eV:	-9.35(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 5-bromo-2-hydroxybenzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=NN3C)C4=CC=CC=C4

DOS

IR

Vibrations