Geometry & MOs

Info

ID:	360939
PubChem CID:	127301770
Reduced:	NSO3C12H19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	364.156912
ΔH_f, kcal/mol:	-127.62
Dipole, Da:	7.18
IP(EA), eV:	-9.71(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxo-1,4-thiazepan-4-yl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)CC2CCC=C2

DOS

IR

Vibrations