Geometry & MOs

Info

ID:	424357
PubChem CID:	135122361
Reduced:	ClON3C11H16 (1)
Stoich.:	ABC3D11E16 (1)
Weight, g/mol:	752.272216
ΔH_f, kcal/mol:	-45.14
Dipole, Da:	7.12
IP(EA), eV:	-8.86(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[2-amino-4-(N-naphthalen-1-ylanilino)phenyl]-2,1,3-benzothiadiazol-7-yl]-1-N-naphthalen-1-yl-1-N-phenylbenzene-1,2-diamine

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C2=NC=C(C(=O)N2)Cl)C

DOS

IR

Vibrations