Geometry & MOs

Info

ID:

112691

PubChem CID:

50416408

Reduced:

F2N6O6C37H44 (1)

Stoich.:

A2B6C6D37E44 (1)

Weight, g/mol:

726.297739

ΔHf, kcal/mol:

-304.79

Dipole, Da:

11.66

IP(EA), eV:

 -9.09(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[2-methoxy-5-(phenylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)OC)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations