Geometry & MOs

Info

ID:

110771

PubChem CID:

50339407

Reduced:

O5N6C36H50 (1)

Stoich.:

A5B6C36D50 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-224.15

Dipole, Da:

5.58

IP(EA), eV:

 -8.5(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[[2-(4-fluorophenyl)acetyl]amino]-4-methylanilino]-3-oxopropyl]-1-[1-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N4CCCC4)C

DOS

IR

Vibrations