Geometry & MOs

Info

ID:	225089
PubChem CID:	85741516
Reduced:	NOSC6H7 (2)
Stoich.:	ABCD6E7 (2)
Weight, g/mol:	843.357326
ΔH_f, kcal/mol:	-23.3
Dipole, Da:	5.17
IP(EA), eV:	-9.65(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(N-[4-[4-[4-(3-ethylphenyl)-1,2,4-triazol-3-yl]phenoxy]phenyl]anilino)phenyl]-N-(4-phenoxyphenyl)-N-phenylaniline

Drug info:

PubChemData

Smile

CC1(C(CC1CC(=O)N=C=S)CC(=O)N=C=S)C

DOS

IR

Vibrations