Geometry & MOs

Info

ID:	449050
PubChem CID:	135295543
Reduced:	SF2N2O2C20H22 (1)
Stoich.:	AB2C2D2E20F22 (1)
Weight, g/mol:	428.156992
ΔH_f, kcal/mol:	-107.93
Dipole, Da:	3.33
IP(EA), eV:	-8.53(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-carbazol-9-yl-2-hydroxypropyl)-N-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1(CC1)N(CC(CN2C3=C(C=C(C=C3)F)C4=C2C=CC(=C4)F)O)S(=O)C

DOS

IR

Vibrations