Geometry & MOs

Info

ID:	423927
PubChem CID:	135120785
Reduced:	SF2N5O5C32H41 (1)
Stoich.:	AB2C5D5E32F41 (1)
Weight, g/mol:	345.187484
ΔH_f, kcal/mol:	-290.59
Dipole, Da:	4.61
IP(EA), eV:	-8.68(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(2-methylphenyl)sulfanylpiperidine

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCSC)C(C)C)C(=O)CC2=CC(=C(C=C2)F)F)CC3=CC=CC=C3

DOS

IR

Vibrations