Geometry & MOs

Info

ID:

96482

PubChem CID:

50021624

Reduced:

F2O5N6C41H44 (1)

Stoich.:

A2B5C6D41E44 (1)

Weight, g/mol:

716.333376

ΔHf, kcal/mol:

-245.4

Dipole, Da:

8.45

IP(EA), eV:

 -8.82(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[2-methoxy-5-(morpholine-4-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC(=CC=C5)F)C

DOS

IR

Vibrations