Geometry & MOs

Info

ID:

106376

PubChem CID:

50160715

Reduced:

O5N6C35H48 (1)

Stoich.:

A5B6C35D48 (1)

Weight, g/mol:

618.352969

ΔHf, kcal/mol:

-212.09

Dipole, Da:

2.23

IP(EA), eV:

 -8.96(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=C(C=C4)NC(=O)C(C)C)C

DOS

IR

Vibrations