Geometry & MOs

Info

ID:	79175
PubChem CID:	49747228
Reduced:	ClFSO2N3C21H21 (1)
Stoich.:	ABCD2E3F21G21 (1)
Weight, g/mol:	450.170333
ΔH_f, kcal/mol:	-38.91
Dipole, Da:	3.27
IP(EA), eV:	-8.4(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=C(C=C2)F)C(CNC(=O)C3=CC=C(S3)Cl)C4=CC=CO4

DOS

IR

Vibrations