Geometry & MOs

Info

ID:	214021
PubChem CID:	81065821
Reduced:	N3O3C15H17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	243.104148
ΔH_f, kcal/mol:	-93.75
Dipole, Da:	3.33
IP(EA), eV:	-8.82(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)NC1=CC=CC2=C1C=CN=C2

DOS

IR

Vibrations