Geometry & MOs

Info

ID:	143833
PubChem CID:	53267374
Reduced:	BrClNO5H27C32 (1)
Stoich.:	ABCD5E27F32 (1)
Weight, g/mol:	497.10018
ΔH_f, kcal/mol:	-99.51
Dipole, Da:	7.45
IP(EA), eV:	-8.56(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]-N-(2-propan-2-ylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C/C(=O)OC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C)Br)OCC4=CC=CC=C4Cl

DOS

IR

Vibrations