Geometry & MOs

Info

ID:

91758

PubChem CID:

49978856

Reduced:

N6O7C37H50 (1)

Stoich.:

A6B7C37D50 (1)

Weight, g/mol:

622.327897

ΔHf, kcal/mol:

-283.98

Dipole, Da:

11.41

IP(EA), eV:

 -8.84(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[2-fluoro-5-(2-methylpropanoylamino)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCC5)OC

DOS

IR

Vibrations