Geometry & MOs

Info

ID:	162475
PubChem CID:	57394783
Reduced:	SCl2F3N4O7C35H43 (1)
Stoich.:	AB2C3D4E7F35G43 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	-376.98
Dipole, Da:	15.7
IP(EA), eV:	-8.84(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R,6R)-6-phenyl-1,4-dioxan-2-yl]-4,5-dihydro-1H-imidazole

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)NC4(CCOCC4)C(=O)N5CCC(CC5)C[N+](C)(C)C)Cl)C.C(=O)(C(F)(F)F)[O-]

DOS

IR

Vibrations