Geometry & MOs

Info

ID:	258265
PubChem CID:	103152407
Reduced:	NSCl2O4C13H15 (1)
Stoich.:	ABC2D4E13F15 (1)
Weight, g/mol:	363.01399
ΔH_f, kcal/mol:	-166.85
Dipole, Da:	7.43
IP(EA), eV:	-9.01(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(5-bromothiophen-2-yl)butanoylamino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)CSC1=C(C=CC(=C1)Cl)Cl

DOS

IR

Vibrations