Geometry & MOs

Info

ID:	214242
PubChem CID:	84974766
Reduced:	F2N2O5H16C20 (1)
Stoich.:	A2B2C5D16E20 (1)
Weight, g/mol:	364.142307
ΔH_f, kcal/mol:	-221.62
Dipole, Da:	4.32
IP(EA), eV:	-9.0(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 3-(1,3-benzoxazol-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1OC(F)F)OC(=O)C=CC2=NC3=CC=CC=C3O2

DOS

IR

Vibrations