Geometry & MOs

Info

ID:	176607
PubChem CID:	76072570
Reduced:	ClSN2O4H21C24 (1)
Stoich.:	ABC2D4E21F24 (1)
Weight, g/mol:	380.09277
ΔH_f, kcal/mol:	-80.26
Dipole, Da:	3.7
IP(EA), eV:	-8.88(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[[7-chloro-5-(furan-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-pyridin-3-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(S1)C2=CC3=C(C(=C2)Cl)OC(C3)CNC(=O)/C=C/C4=CN=C(C=C4)OC

DOS

IR

Vibrations