Geometry & MOs

Info

ID:	366434
PubChem CID:	127319923
Reduced:	O2S2N4C13H22 (1)
Stoich.:	A2B2C4D13E22 (1)
Weight, g/mol:	326.177647
ΔH_f, kcal/mol:	-35.52
Dipole, Da:	6.41
IP(EA), eV:	-8.57(-1.29)
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]-3-(1-methylpyrazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CCC1=C(SN=N1)C(=O)NCC(C)(C)N2CCS(=O)CC2

DOS

IR

Vibrations