Geometry & MOs

Info

ID:	350900
PubChem CID:	127279188
Reduced:	SN2O5C19H26 (1)
Stoich.:	AB2C5D19E26 (1)
Weight, g/mol:	396.168522
ΔH_f, kcal/mol:	-183.3
Dipole, Da:	5.27
IP(EA), eV:	-8.72(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide

Drug info:

PubChemData

Smile

CCN(C1CCS(=O)(=O)C1)C(=O)CN2CCCC2C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations