Geometry & MOs

Info

ID:	213176
PubChem CID:	81063121
Reduced:	BrNSO3C13H18 (1)
Stoich.:	ABCD3E13F18 (1)
Weight, g/mol:	340.112664
ΔH_f, kcal/mol:	-125.62
Dipole, Da:	5.23
IP(EA), eV:	-9.3(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(ethylsulfonylamino)-4-methylsulfanylbutanoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CCCC1=CC=C(S1)Br

DOS

IR

Vibrations