Geometry & MOs

Info

ID:

116949

PubChem CID:

50581808

Reduced:

ClF2O5N6C38H43 (1)

Stoich.:

AB2C5D6E38F43 (1)

Weight, g/mol:

736.295152

ΔHf, kcal/mol:

-279.99

Dipole, Da:

3.6

IP(EA), eV:

 -9.03(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=CC(=C5)F)F)Cl

DOS

IR

Vibrations