Geometry & MOs

Info

ID:	244537
PubChem CID:	99364861
Reduced:	F2N2O3H16C19 (1)
Stoich.:	A2B2C3D16E19 (1)
Weight, g/mol:	422.122634
ΔH_f, kcal/mol:	-126.34
Dipole, Da:	4.56
IP(EA), eV:	-9.47(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]butanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NO2)CNC(=O)CC3=CC=C(C=C3)OC(F)F

DOS

IR

Vibrations