Geometry & MOs

Info

ID:	439593
PubChem CID:	135229369
Reduced:	O3N7C24H29 (1)
Stoich.:	A3B7C24D29 (1)
Weight, g/mol:	116.029586
ΔH_f, kcal/mol:	30.53
Dipole, Da:	4.65
IP(EA), eV:	-8.01(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dihydro-2H-pyran-4-thiol

Drug info:

PubChemData

Smile

CC1CC1N2C=NC3=C2C(=O)N(C=C3NC4=CN(N=C4OC)C)CC5C6C5CN(C6)C(=O)C=C

DOS

IR

Vibrations