Geometry & MOs

Info

ID:	305576
PubChem CID:	124960731
Reduced:	ClF2N2O3C26H31 (1)
Stoich.:	AB2C2D3E26F31 (1)
Weight, g/mol:	368.104003
ΔH_f, kcal/mol:	-202.05
Dipole, Da:	1.76
IP(EA), eV:	-8.75(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-pyrimidin-5-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC[C@@]2(CCCN(C2)CC3=C(C=C(C=C3)F)F)CC(=O)N4CCOCC4)Cl

DOS

IR

Vibrations