Geometry & MOs

Info

ID:

108795

PubChem CID:

50259380

Reduced:

FO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

700.374847

ΔHf, kcal/mol:

-221.66

Dipole, Da:

9.88

IP(EA), eV:

 -8.9(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(butan-2-ylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[4-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC(=CC=C5)F)C)C

DOS

IR

Vibrations