Geometry & MOs

Info

ID:

110767

PubChem CID:

50339369

Reduced:

O5N6C33H46 (1)

Stoich.:

A5B6C33D46 (1)

Weight, g/mol:

678.329646

ΔHf, kcal/mol:

-221.53

Dipole, Da:

3.86

IP(EA), eV:

 -8.74(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC(=C3)C(=O)NC(C)CC)C

DOS

IR

Vibrations