Geometry & MOs

Info

ID:	233746
PubChem CID:	92093269
Reduced:	SO2N4H12C14 (1)
Stoich.:	AB2C4D12E14 (1)
Weight, g/mol:	322.095357
ΔH_f, kcal/mol:	37.12
Dipole, Da:	4.54
IP(EA), eV:	-9.33(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SN=N1)C(=O)NCC2=CN=C(C=C2)C3=CC=CO3

DOS

IR

Vibrations