Geometry & MOs

Info

ID:

92183

PubChem CID:

49983960

Reduced:

FO5N6C40H49 (1)

Stoich.:

AB5C6D40E49 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-241.73

Dipole, Da:

8.86

IP(EA), eV:

 -8.8(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(propylcarbamoyl)anilino]-3-methyl-1-oxobutan-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)C)C(=O)NC4=CC=CC=C4C(=O)NC5=CC(=C(C=C5)C)F

DOS

IR

Vibrations