Geometry & MOs

Info

ID:

113343

PubChem CID:

50440700

Reduced:

F2O5N6C40H46 (1)

Stoich.:

A2B5C6D40E46 (1)

Weight, g/mol:

742.365425

ΔHf, kcal/mol:

-271.34

Dipole, Da:

6.26

IP(EA), eV:

 -9.08(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(cyclohexylcarbamoyl)phenyl]-1-[1-[1-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC=C4C(=O)NC5CCCC5)C(=O)NC6=C(C=C(C=C6)F)F

DOS

IR

Vibrations