Geometry & MOs

Info

ID:	69247
PubChem CID:	46530521
Reduced:	SO2N3H19C21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	438.180424
ΔH_f, kcal/mol:	-11.9
Dipole, Da:	5.67
IP(EA), eV:	-8.41(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[4-(methylcarbamoylamino)phenyl]-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)NC(=O)N)SC3=CC=CC=C3

DOS

IR

Vibrations