Geometry & MOs

Info

ID:	58895
PubChem CID:	24715145
Reduced:	O2F3N3H14C16 (1)
Stoich.:	A2B3C3D14E16 (1)
Weight, g/mol:	311.130363
ΔH_f, kcal/mol:	-163.11
Dipole, Da:	3.27
IP(EA), eV:	-9.74(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[1-(2-cyanoethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylpentanoate

Drug info:

PubChemData

Smile

COC(=NCC1=CC=CC=N1)NC(=O)C2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations