Geometry & MOs

Info

ID:	31727
PubChem CID:	3288058
Reduced:	N4O5H20C22 (1)
Stoich.:	A4B5C20D22 (1)
Weight, g/mol:	376.091535
ΔH_f, kcal/mol:	-127.38
Dipole, Da:	7.99
IP(EA), eV:	-8.97(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 8-methyl-6-(4-methylsulfanylphenyl)-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

Drug info:

PubChemData

Smile

CCN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC(=O)NCC4=CC=CO4)C(=O)NC1=O

DOS

IR

Vibrations