Geometry & MOs

Info

ID:	56192
PubChem CID:	17422470
Reduced:	N2O4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	310.058755
ΔH_f, kcal/mol:	-103.3
Dipole, Da:	3.88
IP(EA), eV:	-8.86(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[4-(difluoromethoxy)phenyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CN=C(O2)CCC(=O)NC3=CC(=CC(=C3)OC)OC

DOS

IR

Vibrations