Geometry & MOs

Info

ID:	155880
PubChem CID:	56368071
Reduced:	O4N5C23H25 (1)
Stoich.:	A4B5C23D25 (1)
Weight, g/mol:	359.119129
ΔH_f, kcal/mol:	-131.68
Dipole, Da:	10.26
IP(EA), eV:	-8.86(-0.92)
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-propoxyacetamide

Drug info:

PubChemData

Smile

CC12CCC(=O)N1C3=CC=CC=C3C(=O)N2CCCC(=O)NCC(=O)NC4=CN=CC=C4

DOS

IR

Vibrations