Geometry & MOs

Info

ID:

117624

PubChem CID:

50609043

Reduced:

ClF2O5N6C34H35 (1)

Stoich.:

AB2C5D6E34F35 (1)

Weight, g/mol:

672.282696

ΔHf, kcal/mol:

-246.79

Dipole, Da:

10.41

IP(EA), eV:

 -9.06(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-chloro-3-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-methyl-4-[(4-methylbenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=C(C=C4)C(=O)NC5=C(C=CC=C5F)F)Cl

DOS

IR

Vibrations