Geometry & MOs

Info

ID:

92119

PubChem CID:

49983150

Reduced:

FN6O6C38H45 (1)

Stoich.:

AB6C6D38E45 (1)

Weight, g/mol:

638.298346

ΔHf, kcal/mol:

-263.18

Dipole, Da:

7.79

IP(EA), eV:

 -8.48(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations