Geometry & MOs

Info

ID:

103766

PubChem CID:

50072903

Reduced:

ClF4O4N5C32H32 (1)

Stoich.:

AB4C4D5E32F32 (1)

Weight, g/mol:

764.349775

ΔHf, kcal/mol:

-326.9

Dipole, Da:

6.66

IP(EA), eV:

 -8.96(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylphenyl]-1-[1-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl

DOS

IR

Vibrations