Geometry & MOs

Info

ID:	44072
PubChem CID:	10500651
Reduced:	BrOSC20H23 (1)
Stoich.:	ABCD20E23 (1)
Weight, g/mol:	391.111439
ΔH_f, kcal/mol:	-20.89
Dipole, Da:	4.67
IP(EA), eV:	-8.83(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-methyl-5-(morpholin-4-ylmethyl)-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CCCCCCSC1=CC(=C(C(=C1)Br)C(=O)C)C2=CC=CC=C2

DOS

IR

Vibrations