Geometry & MOs

Info

ID:	380564
PubChem CID:	134971046
Reduced:	NSO6C15H21 (1)
Stoich.:	ABC6D15E21 (1)
Weight, g/mol:	246.021435
ΔH_f, kcal/mol:	-256.19
Dipole, Da:	4.08
IP(EA), eV:	-9.94(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dichloro-8-methoxy-3-methyl-3,4-dihydro-1H-isochromene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C(C(=O)OC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations