Geometry & MOs

Info

ID:	89949
PubChem CID:	49965575
Reduced:	BrO3N4C14H15 (1)
Stoich.:	AB3C4D14E15 (1)
Weight, g/mol:	456.125612
ΔH_f, kcal/mol:	-49.44
Dipole, Da:	9.84
IP(EA), eV:	-9.04(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-cyano-6-(4-methoxyphenyl)-4-phenylpyridin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide

Drug info:

PubChemData

Smile

CN1C(=CC(=O)N(C1=O)C)N/N=C/C2=C(C=CC(=C2)Br)OC

DOS

IR

Vibrations