Geometry & MOs

Info

ID:

92210

PubChem CID:

49984231

Reduced:

BrO5N6C36H49 (1)

Stoich.:

AB5C6D36E49 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-234.77

Dipole, Da:

8.21

IP(EA), eV:

 -8.74(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-acetamido-4-chloroanilino)-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(=C(C=C4)Br)C(=O)NC(C)C

DOS

IR

Vibrations