Geometry & MOs

Info

ID:	296825
PubChem CID:	117595102
Reduced:	Cl2O5N7C21H25 (1)
Stoich.:	A2B5C7D21E25 (1)
Weight, g/mol:	644.240367
ΔH_f, kcal/mol:	-182.59
Dipole, Da:	7.04
IP(EA), eV:	-8.78(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydroxybutanedioic acid;ethyl 2,4-dihydroxy-6-methylbenzoate;N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=O)C2=C(O1)C=C(C(=C2O)CC=C(C)C)O.C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N.Cl

DOS

IR

Vibrations