Geometry & MOs

Info

ID:	370497
PubChem CID:	127339035
Reduced:	ON5C19H27 (1)
Stoich.:	AB5C19D27 (1)
Weight, g/mol:	393.208613
ΔH_f, kcal/mol:	9.6
Dipole, Da:	2.46
IP(EA), eV:	-8.86(-0.28)
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-methyl-2-propan-2-ylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C1CN(CCN1C(=O)CC2=NN=C(N2C)C3=CC=CC=C3)C

DOS

IR

Vibrations