Geometry & MOs

Info

ID:

113964

PubChem CID:

50466362

Reduced:

FO5N6C41H43 (1)

Stoich.:

AB5C6D41E43 (1)

Weight, g/mol:

714.352969

ΔHf, kcal/mol:

-179.51

Dipole, Da:

10.94

IP(EA), eV:

 -8.59(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)NC(=O)C6=CC=CC=C6F)C

DOS

IR

Vibrations