Geometry & MOs

Info

ID:

315810

PubChem CID:

126628912

Reduced:

PN5O6C24H26 (1)

Stoich.:

AB5C6D24E26 (1)

Weight, g/mol:

549.163076

ΔHf, kcal/mol:

-228.19

Dipole, Da:

13.81

IP(EA), eV:

 -8.79(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-1-[2-(3-acetyl-5-methylindol-1-yl)acetyl]-N-[2-(2-chlorophenyl)-6-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)[C@@H]2C3CCC(C3)N2C(=O)CN4C=C(C5=C4C=CC(=C5)P(=O)(O)O)C(=O)N

DOS

IR

Vibrations