Geometry & MOs

Info

ID:	354273
PubChem CID:	127286237
Reduced:	SN3O4C19H25 (1)
Stoich.:	AB3C4D19E25 (1)
Weight, g/mol:	377.177313
ΔH_f, kcal/mol:	-151.27
Dipole, Da:	3.85
IP(EA), eV:	-8.44(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSC1=CC2=C(C=C1NC(=O)N3CCC(CC3)N4CCCC4=O)OCCO2

DOS

IR

Vibrations