Geometry & MOs

Info

ID:

102015

PubChem CID:

50065293

Reduced:

F2O5N6C37H42 (1)

Stoich.:

A2B5C6D37E42 (1)

Weight, g/mol:

702.334125

ΔHf, kcal/mol:

-194.36

Dipole, Da:

8.01

IP(EA), eV:

 -8.28(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC=CC=C1NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC(=C(C=C5)F)F)C

DOS

IR

Vibrations