Geometry & MOs

Info

ID:	214030
PubChem CID:	81065862
Reduced:	NSO3C12H23 (1)
Stoich.:	ABC3D12E23 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-172.48
Dipole, Da:	2.1
IP(EA), eV:	-9.0(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(4-methylbenzoyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCCCSCC(=O)NCC(CC)CC(=O)O

DOS

IR

Vibrations