Geometry & MOs

Info

ID:	369915
PubChem CID:	127336761
Reduced:	N3O4C15H27 (1)
Stoich.:	A3B4C15D27 (1)
Weight, g/mol:	380.199445
ΔH_f, kcal/mol:	-203.8
Dipole, Da:	5.81
IP(EA), eV:	-9.58(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-1-oxo-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,4-thiazinane-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CNC(=O)NCC(C2CCOCC2)O

DOS

IR

Vibrations