Geometry & MOs

Info

ID:

312269

PubChem CID:

126603971

Reduced:

O2N6H26C29 (1)

Stoich.:

A2B6C26D29 (1)

Weight, g/mol:

623.31349

ΔHf, kcal/mol:

188.96

Dipole, Da:

1.16

IP(EA), eV:

 -8.94(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-N-(3-tert-butylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C=C/C=C\C1=NN(N=C1C=C)C2=CC=CC(=C2O)CC3=C(C(=CC=C3)N4N=C(C(=N4)C=C)/C=C\C=C)O

DOS

IR

Vibrations