Geometry & MOs

Info

ID:	16281
PubChem CID:	463342
Reduced:	Cl2N2O3H32C33 (1)
Stoich.:	A2B2C3D32E33 (1)
Weight, g/mol:	574.178998
ΔH_f, kcal/mol:	-58.89
Dipole, Da:	4.32
IP(EA), eV:	-9.21(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[(3-chlorophenyl)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(=CC=C3)Cl)CC4=CC(=CC=C4)Cl)CC5=CC=CC=C5)O)O

DOS

IR

Vibrations