Geometry & MOs

Info

ID:

109696

PubChem CID:

50294684

Reduced:

FO5N6C44H49 (1)

Stoich.:

AB5C6D44E49 (1)

Weight, g/mol:

734.415569

ΔHf, kcal/mol:

-211.12

Dipole, Da:

4.63

IP(EA), eV:

 -8.44(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(cyclohexanecarbonylamino)-4-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

CC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=CC=C5C)C)NC(=O)CC6=CC=C(C=C6)F

DOS

IR

Vibrations