Geometry & MOs

Info

ID:	191771
PubChem CID:	78187282
Reduced:	O3N4H36C37 (1)
Stoich.:	A3B4C36D37 (1)
Weight, g/mol:	586.269239
ΔH_f, kcal/mol:	-5.43
Dipole, Da:	2.46
IP(EA), eV:	-8.52(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-bis(3H-benzimidazol-5-ylmethyl)-4,7-dibenzyl-5,6-dihydroxy-1,3-diazepan-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2C(C(C(N(C(=O)N2CC3=CC4=C(C=C3)NC=C4)CC5=CC6=C(C=C5)NC=C6)CC7=CC=CC=C7)O)O

DOS

IR

Vibrations