Geometry & MOs

Info

ID:	61120
PubChem CID:	26705834
Reduced:	FSCl2N2O3H17C18 (1)
Stoich.:	ABC2D2E3F17G18 (1)
Weight, g/mol:	388.189926
ΔH_f, kcal/mol:	-140.84
Dipole, Da:	4.82
IP(EA), eV:	-9.24(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[(E)-3-(1-benzylpyrazol-4-yl)prop-2-enoyl]amino]phenyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=C(C=CC(=C3)Cl)F)Cl

DOS

IR

Vibrations