Geometry & MOs

Info

ID:	244995
PubChem CID:	99432028
Reduced:	N4O5H24C26 (1)
Stoich.:	A4B5C24D26 (1)
Weight, g/mol:	416.070989
ΔH_f, kcal/mol:	-103.98
Dipole, Da:	6.27
IP(EA), eV:	-9.25(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)C2=CC3=C(C=C2)OCC(=O)N3)C(=O)CN4C(=O)C=CC(=N4)C5=CC=CC=C5

DOS

IR

Vibrations