Geometry & MOs

Info

ID:	44553
PubChem CID:	10504028
Reduced:	BrO2N4C22H25 (1)
Stoich.:	AB2C4D22E25 (1)
Weight, g/mol:	457.138619
ΔH_f, kcal/mol:	-25.89
Dipole, Da:	6.18
IP(EA), eV:	-8.51(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(4Z)-4-[(3-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]amino]-N-(4-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)Br)C4=CC=NC=C4

DOS

IR

Vibrations