Geometry & MOs

Info

ID:	213391
PubChem CID:	81063595
Reduced:	BrNO4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	247.124215
ΔH_f, kcal/mol:	-163.82
Dipole, Da:	4.57
IP(EA), eV:	-9.15(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-butylsulfanylacetyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC(=O)NCC(C)CC(=O)O)Br

DOS

IR

Vibrations