Geometry & MOs

Info

ID:	243125
PubChem CID:	99215807
Reduced:	SCl2O2N3H17C20 (1)
Stoich.:	AB2C2D3E17F20 (1)
Weight, g/mol:	422.195405
ΔH_f, kcal/mol:	-25.7
Dipole, Da:	6.85
IP(EA), eV:	-9.13(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide

Drug info:

PubChemData

Smile

C1[C@@H](N(CS1)C(=O)C2=CNC3=CC=CC=C32)C(=O)NCC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations