Geometry & MOs

Info

ID:	47275
PubChem CID:	10531048
Reduced:	N5O5C31H45 (1)
Stoich.:	A5B5C31D45 (1)
Weight, g/mol:	567.954962
ΔH_f, kcal/mol:	-127.98
Dipole, Da:	4.75
IP(EA), eV:	-8.72(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-carboxy-4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]-5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCN1N=C(N=N1)C(C2=CC=C(C=C2)OC)C(=O)NC3=C(C=C(C=C3OC)OC)OC

DOS

IR

Vibrations