Geometry & MOs

Info

ID:	375981
PubChem CID:	134221980
Reduced:	FNO6C34H36 (1)
Stoich.:	ABC6D34E36 (1)
Weight, g/mol:	501.195151
ΔH_f, kcal/mol:	-268.8
Dipole, Da:	9.66
IP(EA), eV:	-8.47(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2,3-dihydro-1-benzofuran-7-carbonyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]acetic 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

CC1=CC2=C(CCN2C(=O)C3=CC=CC4=C3OCC4)C(=C1[C@@H](C(=O)O)OC(C)(C)C)C5=CC(=C6C(=C5C)CCCO6)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

CC1=CC2=C(CCN2C(=O)C3=CC=CC4=C3OCC4)C(=C1[C@@H](C(=O)O)OC(C)(C)C)C5=CC(=C6C(=C5C)CCCO6)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):