Geometry & MOs

Info

ID:	449381
PubChem CID:	135298161
Reduced:	FCl2O2N5H26C27 (1)
Stoich.:	AB2C2D5E26F27 (1)
Weight, g/mol:	611.186623
ΔH_f, kcal/mol:	-21.21
Dipole, Da:	3.31
IP(EA), eV:	-8.35(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(Z)-2-[5-[(1R)-1-(3,5-dichloropyridin-4-yl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-1-fluoroethenyl]-N-(oxan-4-yl)pyridin-2-amine

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

C[C@H](C1=C(C=NC=C1Cl)Cl)OC2=CC3=C(C=C2)N(N=C3/C=C(/C4=CN=C(C=C4)CN)\F)C5CCCCO5

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

C[C@H](C1=C(C=NC=C1Cl)Cl)OC2=CC3=C(C=C2)N(N=C3/C=C(/C4=CN=C(C=C4)CN)\F)C5CCCCO5

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):