Geometry & MOs

Info

ID:	433383
PubChem CID:	135173520
Reduced:	SF2O2N6H26C28 (1)
Stoich.:	AB2C2D6E26F28 (1)
Weight, g/mol:	566.156575
ΔH_f, kcal/mol:	-33.47
Dipole, Da:	10.69
IP(EA), eV:	-8.24(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(1S,1aR,6bS)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3-(4-methylphenyl)-1H-1,8-naphthyridin-2-one

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

CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)N2C=C(C3=C2C=CC(=N3)N(C)C4=CC=C(C=C4)C)C5=CN=CN=C5)F

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

CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)N2C=C(C3=C2C=CC(=N3)N(C)C4=CC=C(C=C4)C)C5=CN=CN=C5)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):