Geometry & MOs

Info

ID:	446708
PubChem CID:	135277073
Reduced:	ON4F6C26H30 (1)
Stoich.:	AB4C6D26E30 (1)
Weight, g/mol:	513.280298
ΔH_f, kcal/mol:	-284.7
Dipole, Da:	1.59
IP(EA), eV:	-8.59(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-[(1R,3R)-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

CC1CC2=C([C@H](N1CC(CO)(F)F)C3=C(C=CC(=C3F)NCCNCCCF)F)NC4=C2C=C(C=C4)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

CC1CC2=C([C@H](N1CC(CO)(F)F)C3=C(C=CC(=C3F)NCCNCCCF)F)NC4=C2C=C(C=C4)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):