Geometry & MOs

Info

ID:	171487
PubChem CID:	75383747
Reduced:	O3N4C18H24 (1)
Stoich.:	A3B4C18D24 (1)
Weight, g/mol:	261.139865
ΔH_f, kcal/mol:	-85.58
Dipole, Da:	6.56
IP(EA), eV:	-9.93(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2-propylsulfanylacetyl)amino]heptanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=NN=C2CCC(=O)NCCCCCCC(=O)O

DOS

IR

Vibrations