Geometry & MOs

Info

ID:

113882

PubChem CID:

50462516

Reduced:

O5N6C41H52 (1)

Stoich.:

A5B6C41D52 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-199.84

Dipole, Da:

4.29

IP(EA), eV:

 -8.72(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-[[2-(4-fluorophenyl)acetyl]amino]-3-methylanilino]-2-oxoethyl]-1-[1-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5CCCC5)C)C

DOS

IR

Vibrations