Geometry & MOs

Info

ID:

114129

PubChem CID:

50472862

Reduced:

F2O4N5C38H39 (1)

Stoich.:

A2B4C5D38E39 (1)

Weight, g/mol:

722.415569

ΔHf, kcal/mol:

-195.5

Dipole, Da:

6.22

IP(EA), eV:

 -8.51(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-(cyclohexylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]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)NC4=CC=C(C=C4)NC(=O)CC5=CC=C(C=C5)F)C)F

DOS

IR

Vibrations