Geometry & MOs

Info

ID:

91684

PubChem CID:

49978281

Reduced:

FN5O5C30H38 (1)

Stoich.:

AB5C5D30E38 (1)

Weight, g/mol:

694.324561

ΔHf, kcal/mol:

-240.25

Dipole, Da:

1.4

IP(EA), eV:

 -8.92(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations