Geometry & MOs

Info

ID:	167963
PubChem CID:	74906356
Reduced:	FCl2N2O4H17C27 (1)
Stoich.:	AB2C2D4E17F27 (1)
Weight, g/mol:	559.142947
ΔH_f, kcal/mol:	-73.82
Dipole, Da:	3.12
IP(EA), eV:	-8.71(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C=CC4=CC=C(O4)C5=CC(=C(C=C5)F)Cl)Cl

DOS

IR

Vibrations