Geometry & MOs

Info

ID:

96486

PubChem CID:

50021663

Reduced:

FO5N6C35H41 (1)

Stoich.:

AB5C6D35E41 (1)

Weight, g/mol:

728.293403

ΔHf, kcal/mol:

-234.17

Dipole, Da:

15.11

IP(EA), eV:

 -8.75(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-fluoro-5-[(2-fluorobenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)C)NC(=O)C

DOS

IR

Vibrations