Geometry & MOs

Info

ID:	59590
PubChem CID:	24875379
Reduced:	N2O3C27H35 (1)
Stoich.:	A2B3C27D35 (1)
Weight, g/mol:	396.074405
ΔH_f, kcal/mol:	-26.66
Dipole, Da:	6.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.868232
Charge, e:	0

Chem-info

IUPAC name:

2,6-difluoro-N-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]benzamide

Drug info:

PubChemData

Smile

C[N+](C)(CCOCCC1=CC=CC=C1)CC2=CN=C(O2)[C@@](C3CCC3)(C4=CC=CC=C4)O

DOS

IR

Vibrations