Geometry & MOs

Info

ID:	213943
PubChem CID:	81065576
Reduced:	N3O3C15H31 (1)
Stoich.:	A3B3C15D31 (1)
Weight, g/mol:	388.91579
ΔH_f, kcal/mol:	-182.46
Dipole, Da:	3.7
IP(EA), eV:	-8.73(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)NCCN(C(C)C)C(C)C

DOS

IR

Vibrations