Geometry & MOs

Info

ID:	431928
PubChem CID:	135172055
Reduced:	ClSO2N4C22H33 (1)
Stoich.:	ABC2D4E22F33 (1)
Weight, g/mol:	160.055801
ΔH_f, kcal/mol:	-66.54
Dipole, Da:	7.62
IP(EA), eV:	-8.74(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxy-3,6-dihydro-2H-thiopyran-5-yl)methanol

Drug info:

PubChemData

Smile

CC[C@H](CC(=O)OC)C1=CC(=C(C=C1)N(CC(C)C)CC(C)C)NC2=NC(=NS2)Cl

DOS

IR

Vibrations