Geometry & MOs

Info

ID:	62167
PubChem CID:	26717835
Reduced:	O2N3H10C12 (2)
Stoich.:	A2B3C10D12 (2)
Weight, g/mol:	425.077848
ΔH_f, kcal/mol:	51.24
Dipole, Da:	3.76
IP(EA), eV:	-9.06(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-chlorobenzoyl)amino]phenyl] 4-(methylamino)-3-nitrobenzoate

Drug info:

PubChemData

Smile

CNC1=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