Geometry & MOs

Info

ID:	325630
PubChem CID:	126684254
Reduced:	N3O5C18H31 (1)
Stoich.:	A3B5C18D31 (1)
Weight, g/mol:	371.230788
ΔH_f, kcal/mol:	-230.37
Dipole, Da:	5.43
IP(EA), eV:	-8.77(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-[[(1S)-1-carboxy-4-oxobutyl]amino]-14-oxotetradecanoic acid

Drug info:

PubChemData

Smile

CN(C)CCCCC(C(=O)O)NC(=O)CCCCCN1C(C=CC1=O)O

DOS

IR

Vibrations