Geometry & MOs

Info

ID:	244558
PubChem CID:	99364971
Reduced:	N3O4H17C19 (1)
Stoich.:	A3B4C17D19 (1)
Weight, g/mol:	402.055339
ΔH_f, kcal/mol:	-59.61
Dipole, Da:	3.09
IP(EA), eV:	-8.56(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)[C@H]1CC(=NN1C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations