Geometry & MOs

Info

ID:	165060
PubChem CID:	74491505
Reduced:	F2O2S3N4H18C21 (1)
Stoich.:	A2B2C3D4E18F21 (1)
Weight, g/mol:	427.080219
ΔH_f, kcal/mol:	-70.44
Dipole, Da:	8.95
IP(EA), eV:	-8.71(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=O)C12)CSC(C)C(=O)NC3=NC(=CS3)C4=C(C=CC(=C4)F)F)C

DOS

IR

Vibrations