Geometry & MOs

Info

ID:	214071
PubChem CID:	81066889
Reduced:	FNO4C15H20 (1)
Stoich.:	ABC4D15E20 (1)
Weight, g/mol:	312.114378
ΔH_f, kcal/mol:	-216.97
Dipole, Da:	3.74
IP(EA), eV:	-9.06(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(thiophene-2-carbonylamino)propanoylamino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations