Geometry & MOs

Info

ID:	310192
PubChem CID:	126576413
Reduced:	ClN2O2H17C19 (1)
Stoich.:	AB2C2D17E19 (1)
Weight, g/mol:	515.886137
ΔH_f, kcal/mol:	11.12
Dipole, Da:	5.91
IP(EA), eV:	-8.46(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2,4-diamino-5-(methyltrisulfanyl)phenyl]trisulfanyl]-6-(trisulfanyl)benzene-1,3-diamine

Drug info:

PubChemData

Smile

C/C(=C\C=C/N=C)/OC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations