Geometry & MOs

Info

ID:	178635
PubChem CID:	76359211
Reduced:	SO2N6C21H22 (1)
Stoich.:	AB2C6D21E22 (1)
Weight, g/mol:	445.161326
ΔH_f, kcal/mol:	42.64
Dipole, Da:	6.1
IP(EA), eV:	-8.84(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,4,4-trifluoro-3-phenylbut-2-enamide

Drug info:

PubChemData

Smile

CC1C(C(NN1)C(=O)N)NC(=O)C=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

DOS

IR

Vibrations