Geometry & MOs

Info

ID:	213881
PubChem CID:	81065512
Reduced:	SN2O4C14H20 (1)
Stoich.:	AB2C4D14E20 (1)
Weight, g/mol:	330.107185
ΔH_f, kcal/mol:	-170.09
Dipole, Da:	4.21
IP(EA), eV:	-9.64(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoylamino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C(C)NC(=O)C1=CC=CS1

DOS

IR

Vibrations