Geometry & MOs

Info

ID:	69045
PubChem CID:	46516555
Reduced:	ClSO2N4H19C22 (1)
Stoich.:	ABC2D4E19F22 (1)
Weight, g/mol:	409.150093
ΔH_f, kcal/mol:	23.89
Dipole, Da:	5.79
IP(EA), eV:	-9.0(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-prop-2-enoxy-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(S2)C(=O)NC3=CC=CC(=C3)C(=O)N(C)C)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations