Geometry & MOs

Info

ID:	177075
PubChem CID:	76132542
Reduced:	FS4O5N6H15C17 (1)
Stoich.:	AB4C5D6E15F17 (1)
Weight, g/mol:	644.41017
ΔH_f, kcal/mol:	-84.98
Dipole, Da:	8.58
IP(EA), eV:	-8.83(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[[4-[3-(2,1,3-benzoxadiazol-4-yl)propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2,2-dicyclohexylacetic acid

Drug info:

PubChemData

Smile

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NOCCF)C3=CSC(=N3)N)C(=O)O)SC4=NC=CS4

DOS

IR

Vibrations