Geometry & MOs

Info

ID:

164294

PubChem CID:

74382775

Reduced:

SiN15O22C80H133 (1)

Stoich.:

AB15C22D80E133 (1)

Weight, g/mol:

520.198966

ΔHf, kcal/mol:

-1119.64

Dipole, Da:

7.33

IP(EA), eV:

 -9.2(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-chloro-4-hydroxyphenyl)-1-[2-oxo-2-[4-(4-pyrimidin-5-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(C(C)O)C(=O)NCC(=O)NC(C(C(=O)N)O)C(=O)NC(COC(C)(C)C)C(=O)OC(C1=CC=CC=C1)C(C(=O)OCC[Si](C)(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCC2=CC=CC=C2)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(C(C(C)C)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations