Geometry & MOs

Info

ID:	320716
PubChem CID:	126663086
Reduced:	N2O5C24H36 (1)
Stoich.:	A2B5C24D36 (1)
Weight, g/mol:	559.259483
ΔH_f, kcal/mol:	-245.34
Dipole, Da:	4.42
IP(EA), eV:	-9.57(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-(4-fluorocyclohexa-2,4-dien-1-yl)-4-oxo-8-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

CCC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)N(CC)CC2=CC(=CC=C2)C(=O)OC

DOS

IR

Vibrations