Geometry & MOs

Info

ID:	157316
PubChem CID:	56422872
Reduced:	SN2O5C24H24 (1)
Stoich.:	AB2C5D24E24 (1)
Weight, g/mol:	372.095751
ΔH_f, kcal/mol:	-137.3
Dipole, Da:	9.26
IP(EA), eV:	-8.67(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2,3-dihydro-1,4-benzodioxin-5-ylmethylcarbamoyl)-5-nitrobenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCC3=C4C(=CC=C3)OCCO4)C

DOS

IR

Vibrations