Geometry & MOs

Info

ID:	440529
PubChem CID:	135230515
Reduced:	ION3H14C15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	663.96796
ΔH_f, kcal/mol:	90.37
Dipole, Da:	5.27
IP(EA), eV:	-8.67(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[(carboniodidoylamino)methyl]-N-[(4-iodobenzoyl)carbamoyl]anilino]carbamate

Drug info:

PubChemData

Smile

C/C=C\C=C(/C=C)\N1C(=O)N=C(N1)C2=CC=C(C=C2)I

DOS

IR

Vibrations