Geometry & MOs

Info

ID:	140459
PubChem CID:	52702117
Reduced:	OF2N6H12C15 (1)
Stoich.:	AB2C6D12E15 (1)
Weight, g/mol:	461.158685
ΔH_f, kcal/mol:	10.44
Dipole, Da:	7.83
IP(EA), eV:	-10.26(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[3-[(4-methylbenzoyl)amino]phenyl]methylcarbamoyl]-5-nitrobenzoate

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)CN(C2=C(C=C(C=C2)F)F)C(=O)CN3C=NN=N3

DOS

IR

Vibrations