Geometry & MOs

Info

ID:	409847
PubChem CID:	135082634
Reduced:	O2H20C25 (2)
Stoich.:	A2B20C25 (2)
Weight, g/mol:	614.174807
ΔH_f, kcal/mol:	-6.87
Dipole, Da:	1.63
IP(EA), eV:	-8.36(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

difluorotitanium;[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2-methyl-2-phenyl-1,3-dioxolan-4-yl]-diphenylmethanol

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1(O[C@H]([C@@H](O1)C2(C3=C(C4=CC=CC=C4C=C3)C5=C2C=CC6=CC=CC=C65)O)C7(C8=C(C9=CC=CC=C9C=C8)C1=C7C=CC2=CC=CC=C21)O)C(C)(C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1(O[C@H]([C@@H](O1)C2(C3=C(C4=CC=CC=C4C=C3)C5=C2C=CC6=CC=CC=C65)O)C7(C8=C(C9=CC=CC=C9C=C8)C1=C7C=CC2=CC=CC=C21)O)C(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):