Geometry & MOs

Info

ID:

117103

PubChem CID:

50589413

Reduced:

Cl2O4N5C30H37 (1)

Stoich.:

A2B4C5D30E37 (1)

Weight, g/mol:

628.257624

ΔHf, kcal/mol:

-180.04

Dipole, Da:

6.13

IP(EA), eV:

 -9.0(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(5-acetamido-2-fluoroanilino)-1-oxopropan-2-yl]-1-[2-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4CCCC4

DOS

IR

Vibrations