Geometry & MOs

Info

ID:	268386
PubChem CID:	103599200
Reduced:	N2O2S2C19H20 (1)
Stoich.:	A2B2C2D19E20 (1)
Weight, g/mol:	439.200825
ΔH_f, kcal/mol:	-10.35
Dipole, Da:	8.39
IP(EA), eV:	-8.9(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C(=O)C1CSCN1C(=O)C=CC2=CC=C(S2)C3=CC=CC=C3

DOS

IR

Vibrations