Geometry & MOs

Info

ID:

98982

PubChem CID:

50047747

Reduced:

ClFO5N6C37H42 (1)

Stoich.:

ABC5D6E37F42 (1)

Weight, g/mol:

692.288924

ΔHf, kcal/mol:

-234.66

Dipole, Da:

8.84

IP(EA), eV:

 -8.96(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-(butan-2-ylcarbamoyl)-3-chloroanilino]-2-oxoethyl]-1-[2-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)C(=O)NC5CCCC5)Cl

DOS

IR

Vibrations