Geometry & MOs

Info

ID:

112112

PubChem CID:

50395143

Reduced:

N3O3C20H28 (2)

Stoich.:

A3B3C20D28 (2)

Weight, g/mol:

704.389748

ΔHf, kcal/mol:

-259.21

Dipole, Da:

4.39

IP(EA), eV:

 -8.69(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)C(=O)N5CCC(CC5)C)OC)C

DOS

IR

Vibrations