Geometry & MOs

Info

ID:	159776
PubChem CID:	57288738
Reduced:	ClSO2N3H20C24 (1)
Stoich.:	ABC2D3E20F24 (1)
Weight, g/mol:	162.06808
ΔH_f, kcal/mol:	12.3
Dipole, Da:	4.34
IP(EA), eV:	-8.49(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydro-1H-isochromene-6-carbaldehyde

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)N(C(=O)NC2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)S

DOS

IR

Vibrations