Geometry & MOs

Info

ID:	148024
PubChem CID:	53787686
Reduced:	NF3O3C21H22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	384.05071
ΔH_f, kcal/mol:	-261.7
Dipole, Da:	9.24
IP(EA), eV:	-8.75(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(3-bromo-4-cyclohexylphenyl)ethenylsulfonyl]ethanimidamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N2CCCC2=C(C1C3=CC=CC=C3C(F)(F)F)C(=O)C)C

DOS

IR

Vibrations