Geometry & MOs

Info

ID:	391414
PubChem CID:	135004853
Reduced:	NSO3C27H27 (1)
Stoich.:	ABC3D27E27 (1)
Weight, g/mol:	489.205242
ΔH_f, kcal/mol:	-65.19
Dipole, Da:	2.34
IP(EA), eV:	-8.74(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-benzoylimidazol-1-yl)-3-(tert-butyliminomethylidene)-1,4-diphenylbutane-1,4-dione

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N([C@@H]([C@]1(C(=O)OC)SC2=CC=C(C=C2)C)C3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations