Geometry & MOs

Info

ID:

91374

PubChem CID:

49975459

Reduced:

N5O6C30H39 (1)

Stoich.:

A5B6C30D39 (1)

Weight, g/mol:

619.260626

ΔHf, kcal/mol:

-226.0

Dipole, Da:

8.41

IP(EA), eV:

 -8.74(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-fluoro-5-[(4-fluorobenzoyl)amino]phenyl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)C

DOS

IR

Vibrations