Geometry & MOs

Info

ID:	371026
PubChem CID:	127341850
Reduced:	NSO3C12H19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	349.120861
ΔH_f, kcal/mol:	-119.6
Dipole, Da:	4.78
IP(EA), eV:	-9.14(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-1,1-dioxo-1,4-thiazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C2CCCCCN2S(=O)(=O)C

DOS

IR

Vibrations