Geometry & MOs

Info

ID:	345321
PubChem CID:	127269597
Reduced:	SN2O4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	377.177313
ΔH_f, kcal/mol:	-115.69
Dipole, Da:	0.72
IP(EA), eV:	-8.36(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CSC1=CC2=C(C=C1NC(=O)NC3CCCC4=C3C=CO4)OCCO2

DOS

IR

Vibrations