Geometry & MOs

Info

ID:	270156
PubChem CID:	103630822
Reduced:	BrSN2O3H13C14 (1)
Stoich.:	ABC2D3E13F14 (1)
Weight, g/mol:	310.017891
ΔH_f, kcal/mol:	-57.87
Dipole, Da:	1.18
IP(EA), eV:	-8.38(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-N-[(5-chlorothiophen-2-yl)methyl]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C(=C2)C(=O)NCCC3=CC=C(S3)Br)N

DOS

IR

Vibrations