Geometry & MOs

Info

ID:	366465
PubChem CID:	127319954
Reduced:	SN3O3C18H33 (1)
Stoich.:	AB3C3D18E33 (1)
Weight, g/mol:	389.188546
ΔH_f, kcal/mol:	-154.64
Dipole, Da:	6.29
IP(EA), eV:	-8.28(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]-1-(4-methylphenyl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCCCC1C(=O)NCC(C)(C)N2CCS(=O)CC2

DOS

IR

Vibrations