Geometry & MOs

Info

ID:

95470

PubChem CID:

50009559

Reduced:

FO5N6C36H41 (1)

Stoich.:

AB5C6D36E41 (1)

Weight, g/mol:

642.296597

ΔHf, kcal/mol:

-212.82

Dipole, Da:

11.72

IP(EA), eV:

 -8.78(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(3-fluorophenyl)carbamoyl]phenyl]-1-[1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC=C4C(=O)NC5=C(C=C(C=C5)F)C

DOS

IR

Vibrations