Geometry & MOs

Info

ID:	345390
PubChem CID:	127269690
Reduced:	SN2O4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	356.119464
ΔH_f, kcal/mol:	-121.14
Dipole, Da:	2.6
IP(EA), eV:	-8.48(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)NC2=CC3=C(C=C2SC4=CC=CC=C4)OCCO3)O

DOS

IR

Vibrations