Geometry & MOs

Info

ID:	434019
PubChem CID:	135174172
Reduced:	FPN3O8C31H35 (1)
Stoich.:	ABC3D8E31F35 (1)
Weight, g/mol:	158.040151
ΔH_f, kcal/mol:	-393.95
Dipole, Da:	8.0
IP(EA), eV:	-8.88(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-4-methyl-3,6-dihydro-2H-thiopyran-6-carbaldehyde

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2C=C1)COCC(C)NP(=O)(OC[C@@H]3[C@H]([C@@]([C@@H](O3)N4C=CC(=O)NC4=O)(C)F)O)OC5=CC=CC=C5

DOS

IR

Vibrations