Geometry & MOs

Info

ID:	244538
PubChem CID:	99364863
Reduced:	N4O6H18C21 (1)
Stoich.:	A4B6C18D21 (1)
Weight, g/mol:	427.13795
ΔH_f, kcal/mol:	-57.96
Dipole, Da:	7.05
IP(EA), eV:	-9.7(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NO2)CNC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

DOS

IR

Vibrations