Geometry & MOs

Info

ID:	158824
PubChem CID:	56479463
Reduced:	SN2O6C21H26 (1)
Stoich.:	AB2C6D21E26 (1)
Weight, g/mol:	387.131802
ΔH_f, kcal/mol:	-209.22
Dipole, Da:	2.23
IP(EA), eV:	-8.9(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethylcarbamoyl)-2-methoxyphenoxy]acetate

Drug info:

PubChemData

Smile

CC(C)(C)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)NCC2=C3C(=CC=C2)OCCO3)OC

DOS

IR

Vibrations