Geometry & MOs

Info

ID:	221965
PubChem CID:	85293020
Reduced:	N2O4C25H26 (1)
Stoich.:	A2B4C25D26 (1)
Weight, g/mol:	418.93
ΔH_f, kcal/mol:	-93.51
Dipole, Da:	3.4
IP(EA), eV:	-9.4(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(benzenesulfonyl)-2-iodoprop-2-enyl]-2,2,2-trifluoroacetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1C(OC(=N1)C2CCCN2C(=O)C=CC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations