Geometry & MOs

Info

ID:

96518

PubChem CID:

50021863

Reduced:

FO5N6C40H49 (1)

Stoich.:

AB5C6D40E49 (1)

Weight, g/mol:

716.369761

ΔHf, kcal/mol:

-232.93

Dipole, Da:

12.41

IP(EA), eV:

 -8.86(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[2-methoxy-5-(propan-2-ylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCCC5)C

DOS

IR

Vibrations