Geometry & MOs

Info

ID:	229844
PubChem CID:	87569347
Reduced:	N3O6C35H49 (1)
Stoich.:	A3B6C35D49 (1)
Weight, g/mol:	398.33961
ΔH_f, kcal/mol:	-173.33
Dipole, Da:	7.16
IP(EA), eV:	-8.12(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-butan-2-yl-3-methylundecan-4-yl)octanedioic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](CNC2=C(C(=O)C2=O)N3CCC(CC3)C4=CC=CC=C4)O)N

DOS

IR

Vibrations