Geometry & MOs

Info

ID:

95890

PubChem CID:

50016362

Reduced:

N5O5C36H45 (1)

Stoich.:

A5B5C36D45 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-177.74

Dipole, Da:

8.88

IP(EA), eV:

 -8.4(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(4-fluorophenyl)methylcarbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC(=CC=C4)OC)C

DOS

IR

Vibrations