Geometry & MOs

Info

ID:

114397

PubChem CID:

50481424

Reduced:

FN3O3C18H20 (2)

Stoich.:

AB3C3D18E20 (2)

Weight, g/mol:

752.313389

ΔHf, kcal/mol:

-293.84

Dipole, Da:

10.15

IP(EA), eV:

 -8.24(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[3-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-methoxy-5-(phenylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)NC(=O)C)OC)C(=O)NC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations