Geometry & MOs

Info

ID:

115090

PubChem CID:

50508885

Reduced:

FN6O6C39H47 (1)

Stoich.:

AB6C6D39E47 (1)

Weight, g/mol:

694.268189

ΔHf, kcal/mol:

-264.21

Dipole, Da:

8.08

IP(EA), eV:

 -8.84(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[4-[(3-fluorobenzoyl)amino]-3-methoxyanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)C(=O)N5CCCC5)OC)C)F

DOS

IR

Vibrations