Geometry & MOs

Info

ID:	446709
PubChem CID:	135277081
Reduced:	F2N3O3C29H37 (1)
Stoich.:	A2B3C3D29E37 (1)
Weight, g/mol:	531.270877
ΔH_f, kcal/mol:	-184.75
Dipole, Da:	3.91
IP(EA), eV:	-8.33(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-[(1R,3R)-6-fluoro-1-[6-fluoro-3-[2-[3-fluoropropyl(methyl)amino]ethoxy]-2-methylphenyl]-3-methyl-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](N1C[C@@H](C)C(=O)O)C3=C(C=CC(=C3C)OCCN(C)CCCF)F)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](N1C[C@@H](C)C(=O)O)C3=C(C=CC(=C3C)OCCN(C)CCCF)F)NC4=CC=CC=C24

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):