Geometry & MOs

Info

ID:

106725

PubChem CID:

50173983

Reduced:

O4N5C34H47 (1)

Stoich.:

A4B5C34D47 (1)

Weight, g/mol:

674.415569

ΔHf, kcal/mol:

-187.42

Dipole, Da:

6.49

IP(EA), eV:

 -9.17(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-methyl-1-[2-methyl-5-(2-methylpropylcarbamoyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4CCCCC4)C

DOS

IR

Vibrations