Geometry & MOs

Info

ID:	82850
PubChem CID:	49856669
Reduced:	ClO3N7H20C23 (1)
Stoich.:	AB3C7D20E23 (1)
Weight, g/mol:	574.149776
ΔH_f, kcal/mol:	41.65
Dipole, Da:	8.44
IP(EA), eV:	-8.37(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-(6-methylpyridazin-3-yl)-5-oxo-3-(4-propan-2-ylbenzoyl)-2-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-4-yl]methanesulfonamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C2=NN(C=C2NC(=O)C3=C4N=CC=CN4N=C3)CC(=O)N5CC=CC5

DOS

IR

Vibrations