Geometry & MOs

Info

ID:	63208
PubChem CID:	26750122
Reduced:	ClN2F3O5C16H18 (1)
Stoich.:	AB2C3D5E16F18 (1)
Weight, g/mol:	410.080013
ΔH_f, kcal/mol:	-379.12
Dipole, Da:	5.33
IP(EA), eV:	-8.94(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(2-chloropyridin-3-yl)amino]-1-oxopropan-2-yl] 4-(4-chloro-2-methylphenoxy)butanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)OCCCC(=O)OCC(=O)NC(=O)NCC(F)(F)F

DOS

IR

Vibrations