Geometry & MOs

Info

ID:

91671

PubChem CID:

49978195

Reduced:

N6O7C37H50 (1)

Stoich.:

A6B7C37D50 (1)

Weight, g/mol:

672.307161

ΔHf, kcal/mol:

-276.94

Dipole, Da:

5.61

IP(EA), eV:

 -9.01(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(3-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)OC)NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)C

DOS

IR

Vibrations