Geometry & MOs

Info

ID:	375839
PubChem CID:	134221831
Reduced:	ClFNO6C33H35 (1)
Stoich.:	ABCD6E33F35 (1)
Weight, g/mol:	478.170414
ΔH_f, kcal/mol:	-278.02
Dipole, Da:	6.77
IP(EA), eV:	-8.6(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-(5-fluoropyridine-3-carbonyl)-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=C(C=C(C=C3)Cl)OC)C(=C1[C@@H](C(=O)O)OC(C)(C)C)C4=CC(=C5C(=C4C)CCCO5)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=C(C=C(C=C3)Cl)OC)C(=C1[C@@H](C(=O)O)OC(C)(C)C)C4=CC(=C5C(=C4C)CCCO5)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):