Geometry & MOs

Info

ID:	61392
PubChem CID:	26708809
Reduced:	FSN4O5C22H23 (1)
Stoich.:	ABC4D5E22F23 (1)
Weight, g/mol:	440.151826
ΔH_f, kcal/mol:	-149.78
Dipole, Da:	11.52
IP(EA), eV:	-8.56(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NC(=O)C2=NN(C(=CC2=O)C)C3=CC=CC=C3F)S(=O)(=O)N(C)C

DOS

IR

Vibrations