Geometry & MOs

Info

ID:	213216
PubChem CID:	81063183
Reduced:	NSO3C10H13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-112.55
Dipole, Da:	3.31
IP(EA), eV:	-9.48(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(4-tert-butylbenzoyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CSC=C1

DOS

IR

Vibrations