Geometry & MOs

Info

ID:	36755
PubChem CID:	8012235
Reduced:	NSO7H13C17 (1)
Stoich.:	ABC7D13E17 (1)
Weight, g/mol:	394.0052
ΔH_f, kcal/mol:	-205.54
Dipole, Da:	6.32
IP(EA), eV:	-9.0(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-2,5-dimethoxyphenyl)methyl 1,3-benzodioxole-5-carboxylate

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C(=O)OCCN3C(=O)C4=CC=CC=C4S3(=O)=O

DOS

IR

Vibrations