Geometry & MOs

Info

ID:	313762
PubChem CID:	126617478
Reduced:	Cl2O2F3N4H23C24 (1)
Stoich.:	A2B2C3D4E23F24 (1)
Weight, g/mol:	537.175452
ΔH_f, kcal/mol:	-201.17
Dipole, Da:	8.57
IP(EA), eV:	-9.84(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-chloro-3-[4-oxo-6-[6-[(2R)-pentan-2-yl]oxypyridin-3-yl]-1H-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide

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(C)C1=C(C=CC(=C1)C2=NC(=O)N=C(N2)C3=C(C=CC(=C3)CNC(=O)C(C)(C)C(F)(F)F)Cl)Cl

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(C)C1=C(C=CC(=C1)C2=NC(=O)N=C(N2)C3=C(C=CC(=C3)CNC(=O)C(C)(C)C(F)(F)F)Cl)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):