Geometry & MOs

Info

ID:

94405

PubChem CID:

50000806

Reduced:

FN6O6C43H53 (1)

Stoich.:

AB6C6D43E53 (1)

Weight, g/mol:

768.401062

ΔHf, kcal/mol:

-274.08

Dipole, Da:

12.01

IP(EA), eV:

 -8.06(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2-fluorobenzoyl)amino]-4-methoxyphenyl]-1-[1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)NC(=O)C6=CC(=CC=C6)F)OC

DOS

IR

Vibrations