Geometry & MOs

Info

ID:	153530
PubChem CID:	56312769
Reduced:	FOSN3C20H26 (1)
Stoich.:	ABCD3E20F26 (1)
Weight, g/mol:	387.184586
ΔH_f, kcal/mol:	-70.42
Dipole, Da:	4.2
IP(EA), eV:	-8.63(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(2-fluorophenyl)-2-methylpropyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCC(C)(C)C2=CC=CC=C2F

DOS

IR

Vibrations