Geometry & MOs

Info

ID:	168058
PubChem CID:	74918329
Reduced:	SN2O4H26C29 (1)
Stoich.:	AB2C4D26E29 (1)
Weight, g/mol:	369.113171
ΔH_f, kcal/mol:	-45.1
Dipole, Da:	3.11
IP(EA), eV:	-8.32(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-3-(6-methoxy-3,7-dimethyl-1-benzofuran-5-yl)but-2-enamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=COC3=CC(=C(C=C32)C(=CC(=O)NC4=NC5=CC=CC=C5S4)C)OCC

DOS

IR

Vibrations