Geometry & MOs

Info

ID:	446719
PubChem CID:	135277149
Reduced:	OF4N5C25H31 (1)
Stoich.:	AB4C5D25E31 (1)
Weight, g/mol:	500.259897
ΔH_f, kcal/mol:	-188.58
Dipole, Da:	4.04
IP(EA), eV:	-8.16(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[5-fluoro-2-[2-[3-fluoropropyl(methyl)amino]ethoxy]-3-methylpyridin-4-yl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methylpropanoic 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

C[C@@H]1CC2=C([C@H](N1CC(F)(F)F)C3=C(C=CC(=N3)NCCNCCCF)OC)NC4=CC=CC=C24

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]1CC2=C([C@H](N1CC(F)(F)F)C3=C(C=CC(=N3)NCCNCCCF)OC)NC4=CC=CC=C24

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):