Geometry & MOs

Info

ID:	336055
PubChem CID:	127255062
Reduced:	FNCl2O3H22C34 (1)
Stoich.:	ABC2D3E22F34 (1)
Weight, g/mol:	489.147075
ΔH_f, kcal/mol:	-39.66
Dipole, Da:	5.11
IP(EA), eV:	-8.51(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[5-amino-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-oxo-2H-pyrrol-1-yl]benzoyl]piperazin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)[C@H]2[C@@H](C3(C4N2C5=C(C=C4)C=C(C=C5)F)C(=O)C6=CC=CC=C6C3=O)C7=C(C=C(C=C7)Cl)Cl

DOS

IR

Vibrations