Geometry & MOs

Info

ID:	397664
PubChem CID:	135030542
Reduced:	BrNOF2H16C17 (1)
Stoich.:	ABCD2E16F17 (1)
Weight, g/mol:	338.151809
ΔH_f, kcal/mol:	-107.25
Dipole, Da:	3.33
IP(EA), eV:	-9.23(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S,5S)-4-benzoyl-5-hydroxy-2-methylidene-5-phenylpentanoate

Drug info:

PubChemData

Smile

CC(CC(C(=O)NC1=CC=CC=C1)(F)F)C2=CC=C(C=C2)Br

DOS

IR

Vibrations