Geometry & MOs

Info

ID:	221622
PubChem CID:	85285737
Reduced:	O3N4C13H21 (2)
Stoich.:	A3B4C13D21 (2)
Weight, g/mol:	562.301842
ΔH_f, kcal/mol:	-201.1
Dipole, Da:	5.84
IP(EA), eV:	-8.94(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-4-[[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]-6-[4-[4-(trifluoromethyl)phenyl]phenyl]hexanoic acid

Drug info:

PubChemData

Smile

CC1=CC(C(=O)NC1=O)C2CC(C(O2)COC(=O)CCCC(=O)N3CCCNCCNCCCNCC3)N=[N+]=[N-]

DOS

IR

Vibrations