Geometry & MOs

Info

ID:	173877
PubChem CID:	75692176
Reduced:	N2O3C17H26 (1)
Stoich.:	A2B3C17D26 (1)
Weight, g/mol:	413.140927
ΔH_f, kcal/mol:	-162.14
Dipole, Da:	3.66
IP(EA), eV:	-8.5(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC(=O)C(C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations