Geometry & MOs

Info

ID:	141698
PubChem CID:	52918090
Reduced:	OSN5C18H20 (2)
Stoich.:	ABC5D18E20 (2)
Weight, g/mol:	523.97648
ΔH_f, kcal/mol:	102.21
Dipole, Da:	7.35
IP(EA), eV:	-9.0(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)-diethoxyphosphorylmethyl]-4-iodo-2-nitroaniline

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3C(=CC(=N3)C)C)CCCCC4=NN=C(N4C5=CC=C(C=C5)C)SCC(=O)N6C(=CC(=N6)C)C

DOS

IR

Vibrations