Geometry & MOs

Info

ID:

318979

PubChem CID:

126654035

Reduced:

ON4H14C15 (1)

Stoich.:

AB4C14D15 (1)

Weight, g/mol:

714.233301

ΔHf, kcal/mol:

51.76

Dipole, Da:

5.97

IP(EA), eV:

 -8.99(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,4S)-2-[2-[3-acetyl-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]indol-1-yl]acetyl]-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluorocyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=O)C)C

DOS

IR

Vibrations