Geometry & MOs

Info

ID:	57655
PubChem CID:	22429997
Reduced:	Cl2N4O5H18C23 (1)
Stoich.:	A2B4C5D18E23 (1)
Weight, g/mol:	436.272593
ΔH_f, kcal/mol:	-140.2
Dipole, Da:	4.35
IP(EA), eV:	-9.22(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-ditert-butyl-10-(4-ethoxyphenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C(=O)N2CC(=O)NC3=C(C=C(C=C3)Cl)Cl)CC(=O)NCC4=CC=CO4

DOS

IR

Vibrations