Geometry & MOs

Info

ID:	344283
PubChem CID:	127267459
Reduced:	OSN3C12H13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	349.091
ΔH_f, kcal/mol:	21.52
Dipole, Da:	4.07
IP(EA), eV:	-9.11(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(3-methoxy-1,2-oxazol-5-yl)methylcarbamoyl]-5-nitrobenzoate

Drug info:

PubChemData

Smile

C1C(CS1)NC(=O)CNC2=CC=C(C=C2)C#N

DOS

IR

Vibrations