Geometry & MOs

Info

ID:	163017
PubChem CID:	57581380
Reduced:	NSO2H19C20 (1)
Stoich.:	ABC2D19E20 (1)
Weight, g/mol:	448.178693
ΔH_f, kcal/mol:	-28.96
Dipole, Da:	0.75
IP(EA), eV:	-8.6(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1-benzofuran-5-yl)-N-(4,6-diphenylpyridin-2-yl)-4-oxobutanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)CC3=CC=CC=C3)N

DOS

IR

Vibrations