Geometry & MOs

Info

ID:	268417
PubChem CID:	103599308
Reduced:	SN3O3C22H23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	401.131031
ΔH_f, kcal/mol:	-19.86
Dipole, Da:	8.71
IP(EA), eV:	-8.83(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-phenylpyrazol-4-yl)-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC=CC1=CC(=C(C=C1)OCC(=O)NC(C)C2=NC(=CS2)C3=CC=NC=C3)OC

DOS

IR

Vibrations