Geometry & MOs

Info

ID:	350422
PubChem CID:	127277784
Reduced:	ClOSN5C15H18 (1)
Stoich.:	ABCD5E15F18 (1)
Weight, g/mol:	351.161663
ΔH_f, kcal/mol:	30.31
Dipole, Da:	4.83
IP(EA), eV:	-8.68(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-(4-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)C2=CC(=C(N=C2)SC3=NC=CN3C)Cl

DOS

IR

Vibrations