Geometry & MOs

Info

ID:	440691
PubChem CID:	135230976
Reduced:	OF5C21H27 (1)
Stoich.:	AB5C21D27 (1)
Weight, g/mol:	416.209341
ΔH_f, kcal/mol:	-318.54
Dipole, Da:	5.15
IP(EA), eV:	-9.81(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)C2CCC(CC2)CC(OC3=CC(=C(C(=C3)F)F)F)(F)F

DOS

IR

Vibrations