Geometry & MOs

Info

ID:

100720

PubChem CID:

50063792

Reduced:

FO5N6C34H39 (1)

Stoich.:

AB5C6D34E39 (1)

Weight, g/mol:

642.296597

ΔHf, kcal/mol:

-221.94

Dipole, Da:

11.28

IP(EA), eV:

 -8.95(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations