Geometry & MOs

Info

ID:	195567
PubChem CID:	78702405
Reduced:	OSN2C18H21 (1)
Stoich.:	ABC2D18E21 (1)
Weight, g/mol:	368.093913
ΔH_f, kcal/mol:	15.0
Dipole, Da:	2.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.038032
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate

Drug info:

PubChemData

Smile

C1CC([NH+](C1)CC(=O)N2CCC3=CC=CC=C32)C4=CC=CS4

DOS

IR

Vibrations