Geometry & MOs

Info

ID:	366462
PubChem CID:	127319951
Reduced:	SO2N3C21H29 (1)
Stoich.:	AB2C3D21E29 (1)
Weight, g/mol:	381.129317
ΔH_f, kcal/mol:	-48.44
Dipole, Da:	5.25
IP(EA), eV:	-8.54(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)NCC(C)(C)N3CCS(=O)CC3

DOS

IR

Vibrations