Geometry & MOs

Info

ID:	391178
PubChem CID:	135003377
Reduced:	N2O5C25H36 (1)
Stoich.:	A2B5C25D36 (1)
Weight, g/mol:	531.219829
ΔH_f, kcal/mol:	-178.67
Dipole, Da:	6.38
IP(EA), eV:	-9.0(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-benzoyl-1-benzyl-5-(4-methylphenyl)-2-phenylpyrrol-3-yl]-phenylmethanone

Drug info:

PubChemData

Smile

C/C(=N\OC(C(=C=NC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)/C1=CC=CC=C1

DOS

IR

Vibrations