Geometry & MOs

Info

ID:	229033
PubChem CID:	87566812
Reduced:	N3C12H25 (1)
Stoich.:	A3B12C25 (1)
Weight, g/mol:	413.157326
ΔH_f, kcal/mol:	12.7
Dipole, Da:	4.07
IP(EA), eV:	-8.27(1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[(3E)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-3-(1H-imidazol-2-ylmethylidene)piperidin-4-yl] ethanethioate

Drug info:

PubChemData

Smile

CCC1(CCC([N+]1=[N-])C)CC(C)(CC)N

DOS

IR

Vibrations