Geometry & MOs

Info

ID:	163313
PubChem CID:	57732865
Reduced:	FSN4O4C28H35 (1)
Stoich.:	ABC4D4E28F35 (1)
Weight, g/mol:	447.076498
ΔH_f, kcal/mol:	-183.4
Dipole, Da:	4.78
IP(EA), eV:	-8.72(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-6-[2-(dimethylamino)-4-methylphenyl]phosphanyl-4-methylphenol;dichlorotitanium

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCC(CC1)C2=CNC3=C2C=C(C=C3C(=O)N)C4=CC(=CC(=C4)CNC[C@@H]5CCCO5)F

DOS

IR

Vibrations