Geometry & MOs

Info

ID:

113573

PubChem CID:

50451557

Reduced:

ClF2O4N5C35H38 (1)

Stoich.:

AB2C4D5E35F38 (1)

Weight, g/mol:

730.329039

ΔHf, kcal/mol:

-238.28

Dipole, Da:

5.09

IP(EA), eV:

 -9.08(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-methyl-4-(morpholine-4-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)Cl)C(=O)NC4CCCCC4)C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations