Geometry & MOs

Info

ID:	188334
PubChem CID:	77700625
Reduced:	SN2O6C24H40 (1)
Stoich.:	AB2C6D24E40 (1)
Weight, g/mol:	369.208613
ΔH_f, kcal/mol:	-261.91
Dipole, Da:	3.46
IP(EA), eV:	-8.77(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6,7-dibutoxy-2-(dimethylamino)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]acetonitrile

Drug info:

PubChemData

Smile

CCCCOC1C2C(OC(C1OCCCC)C(=O)C)SC(=N2)N(CC=C)C(=O)OC(C)(C)C

DOS

IR

Vibrations