Geometry & MOs

Info

ID:	16279
PubChem CID:	463337
Reduced:	N2O3C33H46 (1)
Stoich.:	A2B3C33D46 (1)
Weight, g/mol:	518.350843
ΔH_f, kcal/mol:	-140.61
Dipole, Da:	0.97
IP(EA), eV:	-9.12(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis(cyclohexylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one

Drug info:

PubChemData

Smile

C1CCC(CC1)CN2[C@@H]([C@@H]([C@H]([C@H](N(C2=O)CC3CCCCC3)CC4=CC=CC=C4)O)O)CC5=CC=CC=C5

DOS

IR

Vibrations