Geometry & MOs

Info

ID:	213175
PubChem CID:	81063120
Reduced:	NSO3C11H15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	347.01908
ΔH_f, kcal/mol:	-126.34
Dipole, Da:	3.27
IP(EA), eV:	-9.44(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations