Geometry & MOs

Info

ID:

117123

PubChem CID:

50591535

Reduced:

ClFO4N5C37H43 (1)

Stoich.:

ABC4D5E37F43 (1)

Weight, g/mol:

700.290674

ΔHf, kcal/mol:

-197.46

Dipole, Da:

5.51

IP(EA), eV:

 -8.91(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-1-oxopropan-2-yl]-N-[2-[2-chloro-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5CCCCC5)C

DOS

IR

Vibrations