Geometry & MOs

Info

ID:	318402
PubChem CID:	126651127
Reduced:	FSN4O5C24H27 (1)
Stoich.:	ABC4D5E24F27 (1)
Weight, g/mol:	390.95284
ΔH_f, kcal/mol:	-106.53
Dipole, Da:	5.67
IP(EA), eV:	-8.87(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-iodophenyl)methylcarbamic acid;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C[C@@](CCN1CC2=CC(=CN2C1=O)C3=C(C=C(C=C3)C#CC4CN(C4)C)F)(C(=O)NO)S(=O)(=O)C

DOS

IR

Vibrations