Geometry & MOs

Info

ID:	19725
PubChem CID:	571359
Reduced:	ClO2N7H22C29 (1)
Stoich.:	AB2C7D22E29 (1)
Weight, g/mol:	535.152351
ΔH_f, kcal/mol:	73.39
Dipole, Da:	7.23
IP(EA), eV:	-8.49(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[4-(4-benzamidoanilino)-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC3=NC(=NC(=N3)Cl)NC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations