Geometry & MOs

Info

ID:	179931
PubChem CID:	76557922
Reduced:	FO2N5C30H38 (1)
Stoich.:	AB2C5D30E38 (1)
Weight, g/mol:	501.14677
ΔH_f, kcal/mol:	-86.03
Dipole, Da:	6.86
IP(EA), eV:	-9.13(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

chlorotitanium(1+);[2-(3,5-ditert-butyl-2-hydroxyphenyl)phosphanylphenyl]methyl-phenylazanide

Drug info:

PubChemData

Smile

CCC1=C(C(=C(C=C1)F)OCC2=C(N=C(N=C2N3CCN(C(C3)C)CC(=O)N)C4=C(C=CC=C4C)C)C)C

DOS

IR

Vibrations