Geometry & MOs

Info

ID:	150220
PubChem CID:	53789907
Reduced:	S3N4O6H16C17 (1)
Stoich.:	A3B4C6D16E17 (1)
Weight, g/mol:	244.073559
ΔH_f, kcal/mol:	-128.15
Dipole, Da:	5.3
IP(EA), eV:	-8.96(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-1H-benzo[g]isochromene-5,10-diol

Drug info:

PubChemData

Smile

CC1=NN=C(S1)SCC2=C(N3[C@H](C(C3=O)NC(=O)C(C4=CC=CO4)O)SC2)C(=O)O

DOS

IR

Vibrations