Geometry & MOs

Info

ID:

110747

PubChem CID:

50338610

Reduced:

O5N6C36H50 (1)

Stoich.:

A5B6C36D50 (1)

Weight, g/mol:

604.337319

ΔHf, kcal/mol:

-222.81

Dipole, Da:

7.9

IP(EA), eV:

 -8.83(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-methyl-4-(methylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations