Geometry & MOs

Info

ID:	219007
PubChem CID:	85090360
Reduced:	NO4C34H51 (1)
Stoich.:	AB4C34D51 (1)
Weight, g/mol:	537.96711
ΔH_f, kcal/mol:	-156.76
Dipole, Da:	5.16
IP(EA), eV:	-10.2(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-3-(4-iodophenyl)sulfonyl-2-methylpropanamide

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-])C)C

DOS

IR

Vibrations