Geometry & MOs

Info

ID:

92143

PubChem CID:

49983314

Reduced:

BrO4N5C31H40 (1)

Stoich.:

AB4C5D31E40 (1)

Weight, g/mol:

610.267046

ΔHf, kcal/mol:

-163.44

Dipole, Da:

2.33

IP(EA), eV:

 -8.93(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-carbamoyl-5-chloroanilino)-1-oxopropan-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)NCCC(=O)NC4=C(C=C(C=C4)Br)C

DOS

IR

Vibrations