Geometry & MOs

Info

ID:	160285
PubChem CID:	57309632
Reduced:	NOS2C5H7 (1)
Stoich.:	ABC2D5E7 (1)
Weight, g/mol:	286.112443
ΔH_f, kcal/mol:	0.49
Dipole, Da:	3.66
IP(EA), eV:	-9.41(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-(4-chlorophenyl)-2,2-dimethyl-4-methylidene-5,6-dihydro-3H-chromene

Drug info:

PubChemData

Smile

CC(COC(=S)S)C#N

DOS

IR

Vibrations