Geometry & MOs

Info

ID:	130963
PubChem CID:	51136340
Reduced:	O7C24H34 (1)
Stoich.:	A7B24C34 (1)
Weight, g/mol:	364.034981
ΔH_f, kcal/mol:	-265.6
Dipole, Da:	4.46
IP(EA), eV:	-9.28(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-chloro-3,8-dihydroxy-2-methoxy-6-methyl-9-oxoxanthene-1-carboxylate

Drug info:

PubChemData

Smile

CC1C2(C(O2)C(O1)(C)/C=C(\C)/C(/C(=C/C(C)(C3=C(C(=C(C(=O)O3)C)OC)C)O)/C)O)C

DOS

IR

Vibrations