Geometry & MOs

Info

ID:	168101
PubChem CID:	74923693
Reduced:	N2O5C30H30 (1)
Stoich.:	A2B5C30D30 (1)
Weight, g/mol:	475.214744
ΔH_f, kcal/mol:	-127.12
Dipole, Da:	7.78
IP(EA), eV:	-8.59(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-ethoxy-7-methyl-3-naphthalen-1-yl-1-benzofuran-5-yl)-N-(2-methylphenyl)but-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=COC2=C1C)C3=CC=CC=C3OC)C(=CC(=O)NC4=CC=CC(=C4)NC(=O)C)C

DOS

IR

Vibrations