Geometry & MOs

Info

ID:	244496
PubChem CID:	99355754
Reduced:	SO3N5C21H21 (1)
Stoich.:	AB3C5D21E21 (1)
Weight, g/mol:	391.189592
ΔH_f, kcal/mol:	4.42
Dipole, Da:	4.54
IP(EA), eV:	-9.28(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-ethoxyphenyl)-4-oxo-N-[2-(2-phenylethyl)pyrazol-3-yl]butanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCN2C(=CC=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

DOS

IR

Vibrations