Geometry & MOs

Info

ID:	442238
PubChem CID:	135250754
Reduced:	S3N8C34H34 (1)
Stoich.:	A3B8C34D34 (1)
Weight, g/mol:	734.300757
ΔH_f, kcal/mol:	172.94
Dipole, Da:	1.24
IP(EA), eV:	-8.67(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2,6-bis[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)pyridin-3-yl]pyrimidin-4-yl]pyridin-3-yl]-4,4,5,5-tetramethyl-1,3-thiazole

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(CSC(=N1)C2=CC=CC(=N2)C3=CC(=NC(=N3)C4=NC(=CC=C4)C5=NC(CS5)(C)C)C6=NC(=CC=C6)C7=NC(CS7)(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(CSC(=N1)C2=CC=CC(=N2)C3=CC(=NC(=N3)C4=NC(=CC=C4)C5=NC(CS5)(C)C)C6=NC(=CC=C6)C7=NC(CS7)(C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):