Geometry & MOs

Info

ID:	345394
PubChem CID:	127269694
Reduced:	N2S2O3C19H20 (1)
Stoich.:	A2B2C3D19E20 (1)
Weight, g/mol:	382.135114
ΔH_f, kcal/mol:	-69.77
Dipole, Da:	1.47
IP(EA), eV:	-8.54(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

C1CSCCN1C(=O)NC2=CC3=C(C=C2SC4=CC=CC=C4)OCCO3

DOS

IR

Vibrations