Geometry & MOs

Info

ID:	49372
PubChem CID:	11532932
Reduced:	SN3O3H25C27 (1)
Stoich.:	AB3C3D25E27 (1)
Weight, g/mol:	471.229074
ΔH_f, kcal/mol:	-16.22
Dipole, Da:	7.15
IP(EA), eV:	-9.57(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7,8-bis(2,2-dimethylpropanoyloxy)-6-oxo-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]thiazin-9-yl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CSC(=N1)NC(=O)C2(CC3(C4=CC=CC=C4C2C5=CC=CC=C53)C#N)C

DOS

IR

Vibrations