Geometry & MOs

Info

ID:	149775
PubChem CID:	53789451
Reduced:	NOC2H6 (2)
Stoich.:	ABC2D6 (2)
Weight, g/mol:	445.153223
ΔH_f, kcal/mol:	-69.26
Dipole, Da:	1.69
IP(EA), eV:	-9.52(1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-methyl-5-nitro-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-yl]piperazin-1-yl]-pyridin-4-ylmethanone

Drug info:

PubChemData

Smile

C(CON)C(CO)N

DOS

IR

Vibrations