Geometry & MOs

Info

ID:	61819
PubChem CID:	26713485
Reduced:	N3O5C23H27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	374.093643
ΔH_f, kcal/mol:	-80.35
Dipole, Da:	3.68
IP(EA), eV:	-8.65(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(4-nitrophenyl)sulfanylacetamide

Drug info:

PubChemData

Smile

CN(CC1=CC2=C(C=C1)OCCO2)C(=O)C3=CC(=C(C=C3)N4CCCCCC4)[N+](=O)[O-]

DOS

IR

Vibrations