Geometry & MOs

Info

ID:	435703
PubChem CID:	135192204
Reduced:	ClFN2O4H26C28 (1)
Stoich.:	ABC2D4E26F28 (1)
Weight, g/mol:	606.289386
ΔH_f, kcal/mol:	-151.33
Dipole, Da:	6.3
IP(EA), eV:	-8.72(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[8-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2-[3-(2-methylphenyl)phenyl]imidazo[1,2-a]pyridin-7-yl]-3-[(2-methylpropan-2-yl)oxy]propanoic acid

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

CCOC(=O)[C@@H](C1=C(C2=NC(=CN2C=C1C)C3=CC(=CC=C3)Cl)C4=CC(=C5C(=C4C)CCCO5)F)O

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

CCOC(=O)[C@@H](C1=C(C2=NC(=CN2C=C1C)C3=CC(=CC=C3)Cl)C4=CC(=C5C(=C4C)CCCO5)F)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):