Geometry & MOs

Info

ID:	60859
PubChem CID:	26702709
Reduced:	SO2N5H19C25 (1)
Stoich.:	AB2C5D19E25 (1)
Weight, g/mol:	476.242356
ΔH_f, kcal/mol:	96.4
Dipole, Da:	6.17
IP(EA), eV:	-8.79(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1-benzylpyrazol-4-yl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=C(C=N2)/C=C/C(=O)NN3C=NC4=C(C3=O)C(=CS4)C5=CC=CC=C5

DOS

IR

Vibrations