Geometry & MOs

Info

ID:

91974

PubChem CID:

49981154

Reduced:

FO5N6C38H51 (1)

Stoich.:

AB5C6D38E51 (1)

Weight, g/mol:

632.368619

ΔHf, kcal/mol:

-274.96

Dipole, Da:

7.84

IP(EA), eV:

 -8.8(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)NC(=O)C5CCCCC5)F

DOS

IR

Vibrations