Geometry & MOs

Info

ID:

107477

PubChem CID:

50204693

Reduced:

FO5N6C42H53 (1)

Stoich.:

AB5C6D42E53 (1)

Weight, g/mol:

700.374847

ΔHf, kcal/mol:

-251.86

Dipole, Da:

14.41

IP(EA), eV:

 -8.86(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC=CC=C2NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NCC5=CC=C(C=C5)F)C

DOS

IR

Vibrations