Geometry & MOs

Info

ID:	335201
PubChem CID:	127254062
Reduced:	SN5O6C37H43 (1)
Stoich.:	AB5C6D37E43 (1)
Weight, g/mol:	418.152872
ΔH_f, kcal/mol:	-121.33
Dipole, Da:	4.52
IP(EA), eV:	-8.65(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-methoxyphenyl)-5-methyl-7-oxofuro[3,2-b]pyran-3-yl]-N-(2-pyridin-2-ylethyl)acetamide

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NC1=NN=C(S1)CCC2=CC=CC=C2)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations