Geometry & MOs

Info

ID:	366474
PubChem CID:	127319963
Reduced:	SO2N3C19H27 (1)
Stoich.:	AB2C3D19E27 (1)
Weight, g/mol:	326.177647
ΔH_f, kcal/mol:	-57.52
Dipole, Da:	8.37
IP(EA), eV:	-8.15(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylpyrazol-1-yl)-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=C(C=C2)C(=O)NCC(C)(C)N3CCS(=O)CC3)C

DOS

IR

Vibrations