Geometry & MOs

Info

ID:

114522

PubChem CID:

50486794

Reduced:

F2O5N6C40H40 (1)

Stoich.:

A2B5C6D40E40 (1)

Weight, g/mol:

740.293403

ΔHf, kcal/mol:

-227.57

Dipole, Da:

7.52

IP(EA), eV:

 -8.97(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC(=C4)C(=O)NC5=CC(=CC=C5)F)C(=O)NC6=CC=C(C=C6)F

DOS

IR

Vibrations