Geometry & MOs

Info

ID:	180199
PubChem CID:	76595493
Reduced:	SN2C19H24 (2)
Stoich.:	AB2C19D24 (2)
Weight, g/mol:	859.145808
ΔH_f, kcal/mol:	147.07
Dipole, Da:	9.12
IP(EA), eV:	-5.59(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[phenyl-[6-[4-phenyl-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]pyridin-2-yl]methyl]-6-[4-phenyl-5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]pyridine;platinum(2+)

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

CC[N+]1=CC=CC=C1C=CC2=CC=C(C=C2)N(C)CCCSSCCCN(C)C3=CC=C(C=C3)C=CC4=CC=CC=[N+]4CC

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

CC[N+]1=CC=CC=C1C=CC2=CC=C(C=C2)N(C)CCCSSCCCN(C)C3=CC=C(C=C3)C=CC4=CC=CC=[N+]4CC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):