Geometry & MOs

Info

ID:	182214
PubChem CID:	76861618
Reduced:	SN2O2C17H18 (1)
Stoich.:	AB2C2D17E18 (1)
Weight, g/mol:	479.19574
ΔH_f, kcal/mol:	-12.56
Dipole, Da:	3.54
IP(EA), eV:	-9.0(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-3-[3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoylamino]benzamide

Drug info:

PubChemData

Smile

CCOCC1=CC=C(C=C1)C2=NC(=O)C3C(=C(SC3=N2)C)C

DOS

IR

Vibrations