Geometry & MOs

Info

ID:	327527
PubChem CID:	126690238
Reduced:	N5O5C15H21 (1)
Stoich.:	A5B5C15D21 (1)
Weight, g/mol:	755.032967
ΔH_f, kcal/mol:	-122.73
Dipole, Da:	8.39
IP(EA), eV:	-10.06(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[[4-chloro-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]-5-sulfonaphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonic acid

Drug info:

PubChemData

Smile

CC1=NC=C(N1CCNC(=O)C2=C(C(NC2=O)CC(C)C)O)[N+](=O)[O-]

DOS

IR

Vibrations