Geometry & MOs

Info

ID:	263996
PubChem CID:	103413853
Reduced:	O2N3S3C13H17 (1)
Stoich.:	A2B3C3D13E17 (1)
Weight, g/mol:	411.92787
ΔH_f, kcal/mol:	-34.15
Dipole, Da:	5.94
IP(EA), eV:	-8.51(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-N-(2,4-dibromo-5-methoxyphenyl)-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CCCSC1=CC(=C(C=C1)N)NS(=O)(=O)C2=CN=C(S2)C

DOS

IR

Vibrations