Geometry & MOs

Info

ID:	192664
PubChem CID:	78298099
Reduced:	FSO2N4C10H11 (1)
Stoich.:	ABC2D4E10F11 (1)
Weight, g/mol:	466.305624
ΔH_f, kcal/mol:	-36.88
Dipole, Da:	7.55
IP(EA), eV:	-9.02(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-13-[2-(4-imidazol-1-yl-2-methylphenoxy)ethyl]-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadecan-10-one

Drug info:

PubChemData

Smile

CC(CN1C=NC2C1=NC(=NC2=S)F)OC(=O)C

DOS

IR

Vibrations