Geometry & MOs

Info

ID:	369862
PubChem CID:	127336467
Reduced:	SN3O4C17H27 (1)
Stoich.:	AB3C4D17E27 (1)
Weight, g/mol:	385.203528
ΔH_f, kcal/mol:	-187.43
Dipole, Da:	3.15
IP(EA), eV:	-8.57(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dimethyl-1-oxo-1,4-thiazinan-4-yl)-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)N3CCS(=O)C(C3C)C

DOS

IR

Vibrations