Geometry & MOs

Info

ID:	327572
PubChem CID:	126690394
Reduced:	P2C9H18 (1)
Stoich.:	A2B9C18 (1)
Weight, g/mol:	1197.89388
ΔH_f, kcal/mol:	4.64
Dipole, Da:	2.4
IP(EA), eV:	-9.48(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[4-[[4-[[4-chloro-6-[3-(1,2-dibromoethenoxymethylamino)anilino]-1,3,5-triazin-2-yl]amino]-5-sulfonaphthalen-1-yl]diazenyl]-5-methoxy-2-methylphenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid

Drug info:

PubChemData

Smile

CCC1CC1(CC)CC2P=P2

DOS

IR

Vibrations