Geometry & MOs

Info

ID:

114535

PubChem CID:

50487011

Reduced:

F2O5N6C40H42 (1)

Stoich.:

A2B5C6D40E42 (1)

Weight, g/mol:

754.329039

ΔHf, kcal/mol:

-238.81

Dipole, Da:

5.04

IP(EA), eV:

 -8.66(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-fluoro-5-[(4-methoxybenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations