Geometry & MOs

Info

ID:	44367
PubChem CID:	10503164
Reduced:	FSO2N4C23H24 (1)
Stoich.:	ABC2D4E23F24 (1)
Weight, g/mol:	438.259503
ΔH_f, kcal/mol:	-12.79
Dipole, Da:	6.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.543782
Charge, e:	0

Chem-info

IUPAC name:

N-[2-fluoro-4-[3-fluoro-4-[(3,5,5-trimethyl-3,4-dihydropyrrol-2-yl)amino]phenyl]phenyl]-3,5,5-trimethyl-3,4-dihydropyrrol-2-amine

Drug info:

PubChemData

Smile

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NC(=NN3)SC(C)C)C4=CC=C(C=C4)F)OC)OC

DOS

IR

Vibrations