Geometry & MOs

Info

ID:

109628

PubChem CID:

50292217

Reduced:

ClFO4N5C33H37 (1)

Stoich.:

ABC4D5E33F37 (1)

Weight, g/mol:

764.349775

ΔHf, kcal/mol:

-185.3

Dipole, Da:

3.91

IP(EA), eV:

 -9.04(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(2,6-difluorophenyl)carbamoyl]-6-methylphenyl]-1-[1-[1-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC(=CC=C4)F)C)Cl

DOS

IR

Vibrations