Geometry & MOs

Info

ID:

117269

PubChem CID:

50596383

Reduced:

ClFO5N6C39H46 (1)

Stoich.:

ABC5D6E39F46 (1)

Weight, g/mol:

714.329646

ΔHf, kcal/mol:

-236.06

Dipole, Da:

11.44

IP(EA), eV:

 -8.74(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-[(2-methylphenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC=C4C(=O)NC5=C(C=C(C=C5)C)F)Cl

DOS

IR

Vibrations