Geometry & MOs

Info

ID:	245362
PubChem CID:	99443872
Reduced:	ClFSN2O3C22H24 (1)
Stoich.:	ABCD2E3F22G24 (1)
Weight, g/mol:	353.179107
ΔH_f, kcal/mol:	-112.84
Dipole, Da:	6.21
IP(EA), eV:	-9.73(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-cyclopropyl-3-(4-ethoxyphenyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1F)N(C2CC2)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCC4

DOS

IR

Vibrations