Geometry & MOs

Info

ID:	237087
PubChem CID:	92717207
Reduced:	ON2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	453.114314
ΔH_f, kcal/mol:	-20.08
Dipole, Da:	6.93
IP(EA), eV:	-8.33(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(R)-(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2C[C@@H](CC2=O)C3=NC4=CC=CC=C4N3CCCN(C)C

DOS

IR

Vibrations