Geometry & MOs

Info

ID:	219552
PubChem CID:	85149177
Reduced:	N3O4C34H53 (1)
Stoich.:	A3B4C34D53 (1)
Weight, g/mol:	568.98823
ΔH_f, kcal/mol:	-236.32
Dipole, Da:	9.0
IP(EA), eV:	-8.56(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dichloro-4-[4-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-5-(3-iodophenyl)imidazolidin-2-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CCCCC(C(=O)NC(CC(C)C)C(CC(CC)C(=O)NCC(C)C)O)NC(=O)CCC1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations