Geometry & MOs

Info

ID:	243301
PubChem CID:	99218253
Reduced:	ClFSN2O2H20C24 (1)
Stoich.:	ABCD2E2F20G24 (1)
Weight, g/mol:	418.200491
ΔH_f, kcal/mol:	-75.89
Dipole, Da:	6.01
IP(EA), eV:	-9.07(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-imidazol-1-yl-N-[3-(4-phenoxypiperidine-1-carbonyl)phenyl]propanamide

Drug info:

PubChemData

Smile

C1CC2=C([C@H]1NC(=O)C3=CC=CC=C3SCC(=O)NC4=CC=C(C=C4)F)C=CC(=C2)Cl

DOS

IR

Vibrations