Geometry & MOs

Info

ID:	64493
PubChem CID:	29201628
Reduced:	N2O5H24C25 (1)
Stoich.:	A2B5C24D25 (1)
Weight, g/mol:	357.096085
ΔH_f, kcal/mol:	-123.68
Dipole, Da:	2.58
IP(EA), eV:	-8.38(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-3-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N)OC(=O)C1=C2CC/C(=C\C3=CC(=C(C=C3)OC)OC)/C2=NC4=CC=CC=C41

DOS

IR

Vibrations