Geometry & MOs

Info

ID:

92902

PubChem CID:

49990436

Reduced:

N5O5C36H49 (1)

Stoich.:

A5B5C36D49 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-218.46

Dipole, Da:

7.15

IP(EA), eV:

 -8.57(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(methylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)C

DOS

IR

Vibrations