Geometry & MOs

Info

ID:

113420

PubChem CID:

50444572

Reduced:

F2O4N5C33H37 (1)

Stoich.:

A2B4C5D33E37 (1)

Weight, g/mol:

668.368619

ΔHf, kcal/mol:

-228.6

Dipole, Da:

4.11

IP(EA), eV:

 -8.59(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-1-[2-methyl-5-(propan-2-ylcarbamoyl)anilino]-1-oxobutan-2-yl]-1-[2-[2-methyl-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=C(C=C4)F)F)C

DOS

IR

Vibrations