Geometry & MOs

Info

ID:	191770
PubChem CID:	78187281
Reduced:	N4O7H32C37 (1)
Stoich.:	A4B7C32D37 (1)
Weight, g/mol:	584.278741
ΔH_f, kcal/mol:	-149.73
Dipole, Da:	7.92
IP(EA), eV:	-9.46(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7-dibenzyl-5,6-dihydroxy-1,3-bis(1H-indol-5-ylmethyl)-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(=O)C4=O)CC5=CC6=C(C=C5)NC(=O)C6=O)CC7=CC=CC=C7)O)O

DOS

IR

Vibrations