Geometry & MOs

Info

ID:	327647
PubChem CID:	126690617
Reduced:	O2N4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	216.082016
ΔH_f, kcal/mol:	3.16
Dipole, Da:	3.28
IP(EA), eV:	-9.42(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3,6-dihydro-2H-thiopyran-3-yl carbonate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=N1)C2=CC(=NC=C2)NC(=O)C3CC3)C(=O)N(C)CCC=C

DOS

IR

Vibrations