Geometry & MOs

Info

ID:	16280
PubChem CID:	463340
Reduced:	F2N2O3H32C33 (1)
Stoich.:	A2B2C3D32E33 (1)
Weight, g/mol:	542.238099
ΔH_f, kcal/mol:	-139.83
Dipole, Da:	1.35
IP(EA), eV:	-9.45(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[(4-fluorophenyl)methyl]-5,6-dihydroxy-1,3-diazepan-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2CC3=CC=C(C=C3)F)CC4=CC=C(C=C4)F)CC5=CC=CC=C5)O)O

DOS

IR

Vibrations