Geometry & MOs

Info

ID:	345318
PubChem CID:	127269594
Reduced:	SN2O5C15H20 (1)
Stoich.:	AB2C5D15E20 (1)
Weight, g/mol:	363.161663
ΔH_f, kcal/mol:	-179.45
Dipole, Da:	0.78
IP(EA), eV:	-8.46(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSC1=CC2=C(C=C1NC(=O)NCC3COCCO3)OCCO2

DOS

IR

Vibrations