Geometry & MOs

Info

ID:

90880

PubChem CID:

49972406

Reduced:

FO5N6C37H51 (1)

Stoich.:

AB5C6D37E51 (1)

Weight, g/mol:

744.381075

ΔHf, kcal/mol:

-277.55

Dipole, Da:

3.89

IP(EA), eV:

 -8.75(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(2,4-difluorophenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC(=C(C=C1)F)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCC(CC4)C)C

DOS

IR

Vibrations