Geometry & MOs

Info

ID:	182262
PubChem CID:	76866567
Reduced:	FNOH10C12 (2)
Stoich.:	ABCD10E12 (2)
Weight, g/mol:	429.14887
ΔH_f, kcal/mol:	-96.45
Dipole, Da:	4.02
IP(EA), eV:	-9.09(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[1-[3-(1,3-benzoxazol-2-yl)prop-2-enoylamino]ethyl]phenyl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)F)NC(=O)C=CC3=CC(=CC=C3)F

DOS

IR

Vibrations