Geometry & MOs

Info

ID:	60758
PubChem CID:	26701960
Reduced:	N5O5H21C25 (1)
Stoich.:	A5B5C21D25 (1)
Weight, g/mol:	451.101565
ΔH_f, kcal/mol:	14.45
Dipole, Da:	7.79
IP(EA), eV:	-9.09(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3-nitrobenzoyl)amino]phenyl] 4-ethoxy-3-nitrobenzoate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations