Geometry & MOs

Info

ID:

448138

PubChem CID:

135288748

Reduced:

Cl2O3N7H21C29 (1)

Stoich.:

A2B3C7D21E29 (1)

Weight, g/mol:

551.160328

ΔHf, kcal/mol:

58.86

Dipole, Da:

6.87

IP(EA), eV:

 -9.17(-1.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6-oxopyrimidin-1-yl]-3-phenyl-N-(2-pyrrolidin-1-ylethyl)propanamide

Drug info:

PubChemData

Smile

CC1=NC2=C(O1)C=C(C=C2)NC(=O)C(CC3=CC=CC=C3)N4C=NC(=CC4=O)C5=C(C=CC(=C5)Cl)N6C=C(N=N6)Cl

DOS

IR

Vibrations