Geometry & MOs

Info

ID:	165093
PubChem CID:	74499432
Reduced:	ClNO4C24H28 (1)
Stoich.:	ABC4D24E28 (1)
Weight, g/mol:	465.152241
ΔH_f, kcal/mol:	-101.4
Dipole, Da:	4.67
IP(EA), eV:	-8.71(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1Cl)C=CC(=O)N(CC2=CC=C(C=C2)OC)C3CC3)OC

DOS

IR

Vibrations