Geometry & MOs

Info

ID:	396324
PubChem CID:	135028063
Reduced:	NO5H27C28 (1)
Stoich.:	AB5C27D28 (1)
Weight, g/mol:	282.125594
ΔH_f, kcal/mol:	-154.08
Dipole, Da:	3.85
IP(EA), eV:	-9.53(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzhydryl (3S)-3-methyl-4-oxobutanoate

Drug info:

PubChemData

Smile

C[C@@H](CC(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)N3[C@@H](COC3=O)CC4=CC=CC=C4

DOS

IR

Vibrations