Geometry & MOs

Info

ID:	379544
PubChem CID:	134442968
Reduced:	SF5N6H21C24 (1)
Stoich.:	AB5C6D21E24 (1)
Weight, g/mol:	275.209658
ΔH_f, kcal/mol:	-158.72
Dipole, Da:	3.64
IP(EA), eV:	-9.02(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2-ethoxyethoxy)ethoxy]-N-[(2R)-3-methylbutan-2-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1C=C(N2)C#N)CN3CCC(CC3(F)F)NC4=C5C=C(SC5=NC=N4)CC(F)(F)F

DOS

IR

Vibrations