Geometry & MOs

Info

ID:

98502

PubChem CID:

50044690

Reduced:

F2N6O6C35H40 (1)

Stoich.:

A2B6C6D35E40 (1)

Weight, g/mol:

706.292654

ΔHf, kcal/mol:

-297.62

Dipole, Da:

4.59

IP(EA), eV:

 -8.83(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[2-methoxy-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=CC=C4F)F)C

DOS

IR

Vibrations