Geometry & MOs

Info

ID:	44226
PubChem CID:	10502084
Reduced:	SN3O4C21H27 (1)
Stoich.:	AB3C4D21E27 (1)
Weight, g/mol:	417.172228
ΔH_f, kcal/mol:	-131.69
Dipole, Da:	4.56
IP(EA), eV:	-9.57(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(furan-2-ylmethylsulfinyl)-N-[(Z)-4-[4-(pyrrolidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]acetamide

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)NCCC2=CC(=CC(=C2)CCC(=O)O)CC3=CN=CC=C3

DOS

IR

Vibrations