Geometry & MOs

Info

ID:

106993

PubChem CID:

50185250

Reduced:

N5O6C34H47 (1)

Stoich.:

A5B6C34D47 (1)

Weight, g/mol:

692.406147

ΔHf, kcal/mol:

-252.11

Dipole, Da:

4.85

IP(EA), eV:

 -8.22(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-fluoro-5-(2-methylbutanoylamino)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=C(C=C4)OC)OC)C

DOS

IR

Vibrations