Geometry & MOs

Info

ID:

116709

PubChem CID:

50572132

Reduced:

ClFN6O6C39H44 (1)

Stoich.:

ABC6D6E39F44 (1)

Weight, g/mol:

750.274417

ΔHf, kcal/mol:

-254.21

Dipole, Da:

12.27

IP(EA), eV:

 -9.07(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-chloro-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCOCC5)C(=O)NCC6=CC=C(C=C6)F

DOS

IR

Vibrations