Geometry & MOs

Info

ID:	443039
PubChem CID:	135257505
Reduced:	SN2F5O5H25C29 (1)
Stoich.:	AB2C5D5E25F29 (1)
Weight, g/mol:	594.278347
ΔH_f, kcal/mol:	-341.33
Dipole, Da:	9.13
IP(EA), eV:	-9.54(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-9-[3-methyl-4-(3-pyrimidin-5-ylphenyl)phenyl]-N-phenylcarbazol-3-amine

Drug info:

PubChemData

Smile

C1CN([C@H]1C(=O)N(CC2=CC=C(C=C2)C3CCOCC3)C4=CC(=C(C=C4)C(=O)O)O)SC5=C(C(=C(C(=C5F)F)F)F)F

DOS

IR

Vibrations