Geometry & MOs

Info

ID:	58892
PubChem CID:	24715053
Reduced:	O2N3C19H27 (1)
Stoich.:	A2B3C19D27 (1)
Weight, g/mol:	309.07474
ΔH_f, kcal/mol:	-93.95
Dipole, Da:	6.55
IP(EA), eV:	-9.09(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(3,5-difluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile

Drug info:

PubChemData

Smile

C1CCC([C@@H](C1)NC(=O)C2=CC=CC=C2)NC(=O)C3CCCNC3

DOS

IR

Vibrations