Geometry & MOs

Info

ID:	327827
PubChem CID:	126691122
Reduced:	F3O4C16H25 (1)
Stoich.:	A3B4C16D25 (1)
Weight, g/mol:	677.19594
ΔH_f, kcal/mol:	-375.22
Dipole, Da:	5.24
IP(EA), eV:	-10.77(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(6-dibenzothiophen-4-ylpyridin-3-yl)phenyl]-N-[3-(methylideneamino)-4-[(Z)-prop-1-enyl]phenyl]dibenzothiophen-2-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@@H](CC1CC1)[C@@H](CCCC(F)(F)F)C(=O)O

DOS

IR

Vibrations