Geometry & MOs

Info

ID:	237276
PubChem CID:	92718075
Reduced:	NO7C23H27 (1)
Stoich.:	AB7C23D27 (1)
Weight, g/mol:	450.134635
ΔH_f, kcal/mol:	-249.33
Dipole, Da:	6.03
IP(EA), eV:	-8.7(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(S)-(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

C[C@H](C1=CC2=C(C=C1)OCCO2)NC(=O)COC(=O)C3=CC(=C(C=C3)OC(C)C)OC

DOS

IR

Vibrations