Geometry & MOs

Info

ID:	151257
PubChem CID:	53790957
Reduced:	ClFBr2O2N4H16C19 (1)
Stoich.:	ABC2D2E4F16G19 (1)
Weight, g/mol:	506.198777
ΔH_f, kcal/mol:	-31.66
Dipole, Da:	1.87
IP(EA), eV:	-8.55(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CN1C(=C(N(C1=O)C2=CC=CC=C2F)N=C(C(CCl)(Br)Br)NC3=CC=CC=C3)O

DOS

IR

Vibrations