Geometry & MOs

Info

ID:	62848
PubChem CID:	26737243
Reduced:	OS2N5C20H21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	374.11611
ΔH_f, kcal/mol:	55.98
Dipole, Da:	2.73
IP(EA), eV:	-8.94(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CSCC2=C1C(=C(S2)N3C=CC=C3)C(=O)N4CCN(CC4)C5=NC=CC=N5

DOS

IR

Vibrations