Geometry & MOs

Info

ID:	366452
PubChem CID:	127319941
Reduced:	ClSO2N4C15H25 (1)
Stoich.:	ABC2D4E15F25 (1)
Weight, g/mol:	359.144967
ΔH_f, kcal/mol:	-65.85
Dipole, Da:	3.87
IP(EA), eV:	-8.34(0.02)
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-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC(=O)NCC(C)(C)N2CCS(=O)CC2)C)Cl

DOS

IR

Vibrations