Geometry & MOs

Info

ID:

431536

PubChem CID:

135171624

Reduced:

ClPF2N5O6H37C38 (1)

Stoich.:

ABC2D5E6F37G38 (1)

Weight, g/mol:

755.207577

ΔHf, kcal/mol:

-303.52

Dipole, Da:

7.01

IP(EA), eV:

 -8.82(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S)-3-[2-[3-acetyl-6-diethoxyphosphoryl-5-(2-methylpyrimidin-5-yl)indol-1-yl]acetyl]-N-[3-(2-chlorophenyl)-2-fluorophenyl]-3-azabicyclo[3.1.0]hex-5-ene-2-carboxamide

Drug info:

PubChemData

Smile

CCOP(=O)(C1=C(C=C2C(=C1)N(C=C2C(=O)C)CC(=O)N3C[C@@H](C[C@H]3C(=O)NC4=CC=CC(=C4F)C5=CC=CC=C5Cl)F)C6=CN=C(N=C6)C)OCC

DOS

IR

Vibrations