Geometry & MOs

Info

ID:	155767
PubChem CID:	56367453
Reduced:	NSO4H21C23 (1)
Stoich.:	ABC4D21E23 (1)
Weight, g/mol:	429.168856
ΔH_f, kcal/mol:	-88.37
Dipole, Da:	3.72
IP(EA), eV:	-8.3(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-3-phenyl-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(=O)NC2=CC3=C(C=C2SC4=CC=CC=C4)OCCO3

DOS

IR

Vibrations