Geometry & MOs

Info

ID:	213721
PubChem CID:	81064777
Reduced:	SN2O3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	285.114713
ΔH_f, kcal/mol:	-95.09
Dipole, Da:	3.76
IP(EA), eV:	-9.44(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(4-propan-2-ylthiadiazole-5-carbonyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=CC2=C(C=C1)N=CS2

DOS

IR

Vibrations