Geometry & MOs

Info

ID:	328082
PubChem CID:	126692003
Reduced:	ON2C11H14 (1)
Stoich.:	AB2C11D14 (1)
Weight, g/mol:	655.167253
ΔH_f, kcal/mol:	-37.3
Dipole, Da:	4.35
IP(EA), eV:	-8.36(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-[6-(azetidin-1-yl)-2-[[(5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]pyridin-3-yl]-4-chlorophenyl]propanoate

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)N(C(=O)CC2)C)N

DOS

IR

Vibrations