Geometry & MOs

Info

ID:	159953
PubChem CID:	57299374
Reduced:	O4N5C39H47 (1)
Stoich.:	A4B5C39D47 (1)
Weight, g/mol:	565.14778
ΔH_f, kcal/mol:	-101.74
Dipole, Da:	4.16
IP(EA), eV:	-8.76(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,5-ditert-butyl-4-phenylmethoxyphenyl)methylidene]-5-iodo-1H-indol-2-one

Drug info:

PubChemData

Smile

CN(C)C(=O)[C@H](CCCCN)NC(=O)C(CC1=CC=CC=C1)CC(=O)C(CC2=CC3=CC=CC=C3C=C2)NC(=O)C4=CC=CC(=C4)CN

DOS

IR

Vibrations