Geometry & MOs

Info

ID:	181451
PubChem CID:	76747724
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	438.05029
ΔH_f, kcal/mol:	-79.27
Dipole, Da:	4.49
IP(EA), eV:	-8.47(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-2-(6-bromopyridin-2-yl)-2,2-difluoroacetamide

Drug info:

PubChemData

Smile

CC1C(N=C(O1)N)CCC2=CC=C(C=C2)NC(=O)C3=C(OC(=N3)C)C

DOS

IR

Vibrations