Geometry & MOs

Info

ID:

100401

PubChem CID:

50060997

Reduced:

F2N6O6C35H40 (1)

Stoich.:

A2B6C6D35E40 (1)

Weight, g/mol:

655.353383

ΔHf, kcal/mol:

-284.26

Dipole, Da:

6.34

IP(EA), eV:

 -9.02(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)C(=O)N(C)C)OC

DOS

IR

Vibrations