Geometry & MOs

Info

ID:	213885
PubChem CID:	81065516
Reduced:	NO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	299.130363
ΔH_f, kcal/mol:	-177.5
Dipole, Da:	3.64
IP(EA), eV:	-9.11(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(4-tert-butylthiadiazole-5-carbonyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)CC1=CC=C(C=C1)O

DOS

IR

Vibrations